N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 327601
• Molecular Formular: C17H21N5O2S
• Molecular Mass: 359.44594
• Monoisotopic Mass: 359.14159594
• SMILES: c1(nnc(o1)CCC(=O)N(CCn1c(ncc1)C)C)c1sc(cc1)C
• Canonical SMILES: Cc1ccc(s1)c1nnc(o1)CCC(=O)N(CCn1ccnc1C)C
• InChI: InChI=1S/C17H21N5O2S/c1-12-4-5-14(25-12)17-20-19-15(24-17)6-7-16(23)21(3)10-11-22-9-8-18-13(22)2/h4-5,8-9H,6-7,10-11H2,1-3H3
• InChIKey: FLPOROIWRXDDMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-3-[5-(5-methyl-2-thienyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.009103456
• LogD (pH = 7.4): 0.77944595
• Log P: 1.0207933
• Molar Refractivity: 107.3622 cm^3
• Polarizability: 36.627243 Å^3
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.89
• LOG S: -4.12
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 7