N-methyl-N-[(4-phenoxyphenyl)methyl]-3-[5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 674485
• Molecular Formular: C23H21N3O3S
• Molecular Mass: 419.49614
• Monoisotopic Mass: 419.13036255
• SMILES: c1(nnc(o1)CCC(=O)N(Cc1ccc(Oc2ccccc2)cc1)C)c1cscc1
• Canonical SMILES: O=C(N(Cc1ccc(cc1)Oc1ccccc1)C)CCc1nnc(o1)c1cscc1
• InChI: InChI=1S/C23H21N3O3S/c1-26(15-17-7-9-20(10-8-17)28-19-5-3-2-4-6-19)22(27)12-11-21-24-25-23(29-21)18-13-14-30-16-18/h2-10,13-14,16H,11-12,15H2,1H3
• InChIKey: VYYALAYTWQZTTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(4-phenoxyphenyl)methyl]-3-[5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-methyl-N-[(4-phenoxyphenyl)methyl]-3-[5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-methyl-N-(4-phenoxybenzyl)-3-[5-(3-thienyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.572995
• LogD (pH = 7.4): 3.572995
• Log P: 3.572995
• Molar Refractivity: 126.994 cm^3
• Polarizability: 44.72311 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.27
• LOG S: -5.72
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 8