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

• ChemBase ID: 862569
• Molecular Formular: C19H21N5O2
• Molecular Mass: 351.40234
• Monoisotopic Mass: 351.16952494
• SMILES: n1c(noc1CCC(=O)N(Cc1n(ccn1)C)C1CC1)c1ccccc1
• Canonical SMILES: O=C(N(C1CC1)Cc1nccn1C)CCc1onc(n1)c1ccccc1
• InChI: InChI=1S/C19H21N5O2/c1-23-12-11-20-16(23)13-24(15-7-8-15)18(25)10-9-17-21-19(22-26-17)14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13H2,1H3
• InChIKey: FSXFXECFZBIAER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.668031
• LogD (pH = 7.4): 2.2211277
• Log P: 2.2391477
• Molar Refractivity: 108.0371 cm^3
• Polarizability: 37.259705 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: 5
• H Donor: 0
• Log P: 1.78
• LOG S: -3.28
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 7