3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(propan-2-yl)propanamide

• ChemBase ID: 389449
• Molecular Formular: C14H17N3O2
• Molecular Mass: 259.30368
• Monoisotopic Mass: 259.1320768
• SMILES: n1c(oc(n1)CCC(=O)NC(C)C)c1ccccc1
• Canonical SMILES: CC(NC(=O)CCc1nnc(o1)c1ccccc1)C
• InChI: InChI=1S/C14H17N3O2/c1-10(2)15-12(18)8-9-13-16-17-14(19-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,18)
• InChIKey: ULCBPAFNNBLCGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(propan-2-yl)propanamide
• IUPAC Traditional name: N-isopropyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
• Synonyms: N-isopropyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.286205
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1174996
• LogD (pH = 7.4): 1.1174997
• Log P: 1.1174997
• Molar Refractivity: 83.3055 cm^3
• Polarizability: 27.973404 Å^3
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.03
• LOG S: -3.41
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 4