UK 383367 supplier | CasNO.348622-88-8

Name
3-(Aminocarbonyl)-β-(3-cyclohexylpropyl)-N-hydroxy-1,2,4-oxadiazole-5-propanamide
EINECS
CAS No. 348622-88-8
Article Data2
CAS DataBase
Density 1.234 g/cm³
Solubility
Melting Point 136-138℃
Formula C₁₅H₂₄N₄O₄
Boiling Point
Molecular Weight 324.38
Flash Point
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms UK 383367;1,2,4-Oxadiazole-5-propanamide, 3-(aminocarbonyl)-β-(3-cyclohexylpropyl)-N-hydroxy-, (βR)-;5-[(3R)-6-Cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carboxamide;
PSA 134.83000
LogP 3.43880

UK 383367 Specification

The 3-(Aminocarbonyl)-β-(3-cyclohexylpropyl)-N-hydroxy-1,2,4-oxadiazole-5-propanamide, with the CAS registry number 348622-88-8, is also known as 5-[(3R)-6-Cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carboxamide. This chemical's molecular formula is C₁₅H₂₄N₄O₄ and molecular weight is 324.38. What's more, its systematic name is 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carboxamide.

Physical properties of 3-(Aminocarbonyl)-β-(3-cyclohexylpropyl)-N-hydroxy-1,2,4-oxadiazole-5-propanamide are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 7; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 133; (8)ACD/KOC (pH 7.4): 130; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 131.34 Å²; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 82.591 cm³; (15)Molar Volume: 262.888 cm³; (16)Polarizability: 32.742×10^-24cm³; (17)Surface Tension: 56.508 dyne/cm; (18)Density: 1.234 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1nc(on1)[C@@H](CC(=O)NO)CCCC2CCCCC2)N
(2)Std. InChI: InChI=1S/C15H24N4O4/c16-13(21)14-17-15(23-19-14)11(9-12(20)18-22)8-4-7-10-5-2-1-3-6-10/h10-11,22H,1-9H2,(H2,16,21)(H,18,20)/t11-/m1/s1
(3)Std. InChIKey: ARJCBSRIPGJMAD-LLVKDONJSA-N

Product Name

3-(Aminocarbonyl)-β-(3-cyclohexylpropyl)-N-hydroxy-1,2,4-oxadiazole-5-propanamide

UK 383367 Specification

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