4-Oxazolecarboxylicacid, 5-[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]-, ethyl ester supplier

Name
ETHYL 5-[(4N-BOC-AMINO)PHENYL]-1,3-OXAZOLE-4-CARBOXYLATE
EINECS
CAS No. 391248-22-9
Density 1.212g/cm³
Solubility
Melting Point
Formula C₁₇H₂₀N₂O₅
Boiling Point 439 °C at 760 mmHg
Molecular Weight 332.3511
Flash Point 219.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Oxazolecarboxylicacid,5-[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]-,ethylester(9CI);ethyl 5-(4-(tert-butoxycarbonylamino)phenyl)oxazole-4-carboxylate;Ethyl 5-[(4FRAGEZEICHENFRAGEZEICHENN-Boc-amino)phenyl]-1,3-oxazole-4-carboxylate;REF DUPL: Ethyl 5-[(4FRAGEZEICHENFRAGEZEICHENN-Boc-amino)phenyl]-1,3-oxazole-4-carboxylate;Ethyl 5-[(4-N-Boc-amino)phenyl]oxazole-4-carboxylate;Ethyl5-[(4-N-Boc-aMino)phenyl]-1,3
PSA 90.66000
LogP 3.93830

4-Oxazolecarboxylicacid, 5-[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]-, ethyl ester Specification

The 4-Oxazolecarboxylicacid, 5-[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]-, ethyl ester, with CAS registry number 391248-22-9, belongs to the following product category: N-BOC. It has the systematic name of ethyl 5-{4-[(tert-butoxycarbonyl)amino]phenyl}-1,3-oxazole-4-carboxylate. And the chemical formula of this chemical is C₁₇H₂₀N₂O₅.

Physical properties of 4-Oxazolecarboxylicacid, 5-[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]-, ethyl ester: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.05; (4)ACD/LogD (pH 7.4): 3.05; (5)ACD/BCF (pH 5.5): 122.04; (6)ACD/BCF (pH 7.4): 122.04; (7)ACD/KOC (pH 5.5): 1084.25; (8)ACD/KOC (pH 7.4): 1084.25; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 81.87 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 87.52 cm³; (15)Molar Volume: 274.1 cm³; (16)Polarizability: 34.69×10^-24cm³; (17)Surface Tension: 45.3 dyne/cm; (18)Density: 1.212 g/cm³; (19)Flash Point: 219.3 °C; (20)Enthalpy of Vaporization: 69.59 kJ/mol; (21)Boiling Point: 439 °C at 760 mmHg; (22)Vapour Pressure: 6.61E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c2ncoc2c1ccc(NC(=O)OC(C)(C)C)cc1
(2)InChI: InChI=1/C17H20N2O5/c1-5-22-15(20)13-14(23-10-18-13)11-6-8-12(9-7-11)19-16(21)24-17(2,3)4/h6-10H,5H2,1-4H3,(H,19,21)
(3)InChIKey: LCRZRPSRAUNHSV-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C17H20N2O5/c1-5-22-15(20)13-14(23-10-18-13)11-6-8-12(9-7-11)19-16(21)24-17(2,3)4/h6-10H,5H2,1-4H3,(H,19,21)
(5)Std. InChIKey: LCRZRPSRAUNHSV-UHFFFAOYSA-N

Product Name

ETHYL 5-[(4N-BOC-AMINO)PHENYL]-1,3-OXAZOLE-4-CARBOXYLATE

4-Oxazolecarboxylicacid, 5-[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]-, ethyl ester Specification

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