N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-3-(pyridin-3-yl)propanamide

• ChemBase ID: 538993
• Molecular Formular: C14H17N3O2
• Molecular Mass: 259.30368
• Monoisotopic Mass: 259.1320768
• SMILES: c1(nocc1)C(N(C(=O)CCc1cnccc1)C)C
• Canonical SMILES: O=C(N(C(c1nocc1)C)C)CCc1cccnc1
• InChI: InChI=1S/C14H17N3O2/c1-11(13-7-9-19-16-13)17(2)14(18)6-5-12-4-3-8-15-10-12/h3-4,7-11H,5-6H2,1-2H3
• InChIKey: DDGFXRVSKIAZMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-3-(pyridin-3-yl)propanamide
• IUPAC Traditional name: N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-3-(pyridin-3-yl)propanamide
• Synonyms: N-(1-isoxazol-3-ylethyl)-N-methyl-3-pyridin-3-ylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1256428
• LogD (pH = 7.4): 1.2162323
• Log P: 1.2175546
• Molar Refractivity: 71.4516 cm^3
• Polarizability: 27.270832 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.03
• LOG S: -1.08
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 5