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

• ChemBase ID: 571611
• Molecular Formular: C18H19N3O3S
• Molecular Mass: 357.42676
• Monoisotopic Mass: 357.11471248
• SMILES: c1(nnc(o1)CCC(=O)N(Cc1cc(OC)ccc1)C)c1cscc1
• Canonical SMILES: COc1cccc(c1)CN(C(=O)CCc1nnc(o1)c1cscc1)C
• InChI: InChI=1S/C18H19N3O3S/c1-21(11-13-4-3-5-15(10-13)23-2)17(22)7-6-16-19-20-18(24-16)14-8-9-25-12-14/h3-5,8-10,12H,6-7,11H2,1-2H3
• InChIKey: YTDXIJSAOPSYBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9150366
• LogD (pH = 7.4): 1.9150366
• Log P: 1.9150366
• Molar Refractivity: 107.2164 cm^3
• Polarizability: 36.934517 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.09
• LOG S: -3.85
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 6