N-[3-(1H-imidazol-1-yl)-1-phenylpropyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 488704
• Molecular Formular: C25H27N5O2
• Molecular Mass: 429.51418
• Monoisotopic Mass: 429.21647513
• SMILES: n1nc(oc1CCc1ccccc1)CCC(=O)NC(CCn1cncc1)c1ccccc1
• Canonical SMILES: O=C(NC(c1ccccc1)CCn1cncc1)CCc1nnc(o1)CCc1ccccc1
• InChI: InChI=1S/C25H27N5O2/c31-23(12-14-25-29-28-24(32-25)13-11-20-7-3-1-4-8-20)27-22(21-9-5-2-6-10-21)15-17-30-18-16-26-19-30/h1-10,16,18-19,22H,11-15,17H2,(H,27,31)
• InChIKey: HOUXNBSSYJKZQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1H-imidazol-1-yl)-1-phenylpropyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-[3-(imidazol-1-yl)-1-phenylpropyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-[3-(1H-imidazol-1-yl)-1-phenylpropyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.862714
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9396291
• LogD (pH = 7.4): 2.403803
• Log P: 2.4724464
• Molar Refractivity: 123.8888 cm^3
• Polarizability: 46.814022 Å^3
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.44
• LOG S: -6.32
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 11