N-cyclopropyl-5-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-3-carboxamide

• ChemBase ID: 678390
• Molecular Formular: C16H20N4O3S
• Molecular Mass: 348.42
• Monoisotopic Mass: 348.12561152
• SMILES: c1(C(=O)N(C2CC2)Cc2nccs2)noc(c1)CN1CCOCC1
• Canonical SMILES: O=C(N(C1CC1)Cc1nccs1)c1noc(c1)CN1CCOCC1
• InChI: InChI=1S/C16H20N4O3S/c21-16(20(12-1-2-12)11-15-17-3-8-24-15)14-9-13(23-18-14)10-19-4-6-22-7-5-19/h3,8-9,12H,1-2,4-7,10-11H2
• InChIKey: YSGXTPCMWVWUQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-3-carboxamide
• Synonyms: N-cyclopropyl-5-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)isoxazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.41579542
• LogD (pH = 7.4): 0.58390385
• Log P: 0.5865283
• Molar Refractivity: 89.8537 cm^3
• Polarizability: 33.966278 Å^3
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -1.35
• LOG S: -1.9
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 6