N-{4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl}cyclopropanecarboxamide

• ChemBase ID: 728699
• Molecular Formular: C14H15N3O2
• Molecular Mass: 257.2878
• Monoisotopic Mass: 257.11642674
• SMILES: n1c(onc1C)Cc1ccc(NC(=O)C2CC2)cc1
• Canonical SMILES: O=C(C1CC1)Nc1ccc(cc1)Cc1onc(n1)C
• InChI: InChI=1S/C14H15N3O2/c1-9-15-13(19-17-9)8-10-2-6-12(7-3-10)16-14(18)11-4-5-11/h2-3,6-7,11H,4-5,8H2,1H3,(H,16,18)
• InChIKey: ALBMUQPQXZPXIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl}cyclopropanecarboxamide
• IUPAC Traditional name: N-{4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl}cyclopropanecarboxamide
• Synonyms: N-{4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl}cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.985334
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3650663
• LogD (pH = 7.4): 2.3650665
• Log P: 2.3650668
• Molar Refractivity: 72.7233 cm^3
• Polarizability: 26.40813 Å^3
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.97
• LOG S: -1.91
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 4