N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-(pyrrolidin-3-yl)benzamide

• ChemBase ID: 440688
• Molecular Formular: C16H19N3O2
• Molecular Mass: 285.34096
• Monoisotopic Mass: 285.14772686
• SMILES: C(=O)(c1c(C2CNCC2)cccc1)N(Cc1oncc1)C
• Canonical SMILES: CN(C(=O)c1ccccc1C1CNCC1)Cc1ccno1
• InChI: InChI=1S/C16H19N3O2/c1-19(11-13-7-9-18-21-13)16(20)15-5-3-2-4-14(15)12-6-8-17-10-12/h2-5,7,9,12,17H,6,8,10-11H2,1H3
• InChIKey: KKPTUVQJOVRFFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-(pyrrolidin-3-yl)benzamide
• IUPAC Traditional name: N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-(pyrrolidin-3-yl)benzamide
• Synonyms: N-(5-isoxazolylmethyl)-N-methyl-2-(3-pyrrolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• H Donor: 1
• LogD (pH = 5.5): -2.2159617
• LogD (pH = 7.4): -1.8512912
• Log P: 1.0187079
• Molar Refractivity: 81.6049 cm^3
• Polarizability: 30.506403 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3

供应商提供(Chembridge)

• H Donor: 1
• Log P: -0.48
• LOG S: -2.18
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4