N-{4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl}-2-methyl-3-(1H-pyrazol-1-yl)propanamide

• ChemBase ID: 712601
• Molecular Formular: C19H17N5O3
• Molecular Mass: 363.36998
• Monoisotopic Mass: 363.13313943
• SMILES: c1(oc(nn1)c1ccc(NC(=O)C(Cn2nccc2)C)cc1)c1occc1
• Canonical SMILES: CC(C(=O)Nc1ccc(cc1)c1nnc(o1)c1ccco1)Cn1cccn1
• InChI: InChI=1S/C19H17N5O3/c1-13(12-24-10-3-9-20-24)17(25)21-15-7-5-14(6-8-15)18-22-23-19(27-18)16-4-2-11-26-16/h2-11,13H,12H2,1H3,(H,21,25)
• InChIKey: LSPFLOQIYXTQNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl}-2-methyl-3-(1H-pyrazol-1-yl)propanamide
• IUPAC Traditional name: N-{4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl}-2-methyl-3-(pyrazol-1-yl)propanamide
• Synonyms: N-{4-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]phenyl}-2-methyl-3-(1H-pyrazol-1-yl)propanamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 98.98 Å^2
• Rotatable Bonds: 6
• H Acceptors: 6
• H Donor: 1
• Log P: 1.9
• LOG S: -3.47

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 13.328055
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1844828
• LogD (pH = 7.4): 2.184615
• Log P: 2.184617
• Molar Refractivity: 132.1169 cm^3
• Polarizability: 37.85374 Å^3
• Polar Surface Area: 98.98 Å^2