N,N-dimethyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide

• ChemBase ID: 614974
• Molecular Formular: C18H17N3O2
• Molecular Mass: 307.34648
• Monoisotopic Mass: 307.1320768
• SMILES: n1c(oc(n1)C)c1cc(c2ccc(C(=O)N(C)C)cc2)ccc1
• Canonical SMILES: Cc1nnc(o1)c1cccc(c1)c1ccc(cc1)C(=O)N(C)C
• InChI: InChI=1S/C18H17N3O2/c1-12-19-20-17(23-12)16-6-4-5-15(11-16)13-7-9-14(10-8-13)18(22)21(2)3/h4-11H,1-3H3
• InChIKey: CYIYOGORNORVHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
• IUPAC Traditional name: N,N-dimethyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
• Synonyms: N,N-dimethyl-3'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.047738
• LogD (pH = 7.4): 2.0477383
• Log P: 2.0477383
• Molar Refractivity: 100.5339 cm^3
• Polarizability: 34.949333 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.43
• LOG S: -1.81
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 3