N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-phenylpentanamide

• ChemBase ID: 692591
• Molecular Formular: C16H21N3O2
• Molecular Mass: 287.35684
• Monoisotopic Mass: 287.16337693
• SMILES: c1(nnc(o1)C)CN(C(=O)CCCCc1ccccc1)C
• Canonical SMILES: O=C(N(Cc1nnc(o1)C)C)CCCCc1ccccc1
• InChI: InChI=1S/C16H21N3O2/c1-13-17-18-15(21-13)12-19(2)16(20)11-7-6-10-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-12H2,1-2H3
• InChIKey: BCTMSMLGABYHOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4872535
• LogD (pH = 7.4): 1.4872537
• Log P: 1.4872537
• Molar Refractivity: 82.0901 cm^3
• Polarizability: 30.820679 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.03
• LOG S: -3.03
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 7