N-[1-(furan-2-ylmethyl)-1H-pyrazol-5-yl]-3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

• ChemBase ID: 466885
• Molecular Formular: C19H24N6O3
• Molecular Mass: 384.43226
• Monoisotopic Mass: 384.19098866
• SMILES: n1c(onc1C(C)C)C1CN(C(=O)Nc2n(ncc2)Cc2occc2)CCC1
• Canonical SMILES: O=C(N1CCCC(C1)c1onc(n1)C(C)C)Nc1ccnn1Cc1ccco1
• InChI: InChI=1S/C19H24N6O3/c1-13(2)17-22-18(28-23-17)14-5-3-9-24(11-14)19(26)21-16-7-8-20-25(16)12-15-6-4-10-27-15/h4,6-8,10,13-14H,3,5,9,11-12H2,1-2H3,(H,21,26)
• InChIKey: ALVYNKALQPCGFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(furan-2-ylmethyl)-1H-pyrazol-5-yl]-3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
• IUPAC Traditional name: N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
• Synonyms: N-[1-(2-furylmethyl)-1H-pyrazol-5-yl]-3-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.192194
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.6931326
• LogD (pH = 7.4): 2.6931891
• Log P: 2.6931906
• Molar Refractivity: 115.0761 cm^3
• Polarizability: 38.250835 Å^3
• Polar Surface Area: 102.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.27
• LOG S: -3.09
• Polar Surface Area: 102.22 Å^2
• Rotatable Bonds: 5