3-cyclopropyl-N-methyl-N-(quinolin-5-ylmethyl)-1,2-oxazole-5-carboxamide

• ChemBase ID: 860320
• Molecular Formular: C18H17N3O2
• Molecular Mass: 307.34648
• Monoisotopic Mass: 307.1320768
• SMILES: c1(cc(no1)C1CC1)C(=O)N(Cc1c2c(nccc2)ccc1)C
• Canonical SMILES: CN(C(=O)c1onc(c1)C1CC1)Cc1cccc2c1cccn2
• InChI: InChI=1S/C18H17N3O2/c1-21(18(22)17-10-16(20-23-17)12-7-8-12)11-13-4-2-6-15-14(13)5-3-9-19-15/h2-6,9-10,12H,7-8,11H2,1H3
• InChIKey: QTZMJSMDRIAHHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopropyl-N-methyl-N-(quinolin-5-ylmethyl)-1,2-oxazole-5-carboxamide
• IUPAC Traditional name: 3-cyclopropyl-N-methyl-N-(quinolin-5-ylmethyl)-1,2-oxazole-5-carboxamide
• Synonyms: 3-cyclopropyl-N-methyl-N-(5-quinolinylmethyl)-5-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.330995
• LogD (pH = 7.4): 2.348846
• Log P: 2.349079
• Molar Refractivity: 86.7739 cm^3
• Polarizability: 33.752712 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.79
• LOG S: -2.12
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 4