N-{4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl}-3-(methoxymethyl)pyrrolidine-1-carboxamide

• ChemBase ID: 538288
• Molecular Formular: C19H20N4O4
• Molecular Mass: 368.3865
• Monoisotopic Mass: 368.14845514
• SMILES: c1(oc(nn1)c1ccc(NC(=O)N2CC(CC2)COC)cc1)c1occc1
• Canonical SMILES: COCC1CCN(C1)C(=O)Nc1ccc(cc1)c1nnc(o1)c1ccco1
• InChI: InChI=1S/C19H20N4O4/c1-25-12-13-8-9-23(11-13)19(24)20-15-6-4-14(5-7-15)17-21-22-18(27-17)16-3-2-10-26-16/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,24)
• InChIKey: XDZFYVNJQVLFKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl}-3-(methoxymethyl)pyrrolidine-1-carboxamide
• IUPAC Traditional name: N-{4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl}-3-(methoxymethyl)pyrrolidine-1-carboxamide
• Synonyms: N-{4-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]phenyl}-3-(methoxymethyl)pyrrolidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.735393
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4347645
• LogD (pH = 7.4): 1.4347626
• Log P: 1.4347645
• Molar Refractivity: 121.5045 cm^3
• Polarizability: 38.08766 Å^3
• Polar Surface Area: 93.63 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: 1.92
• LOG S: -3.53
• Polar Surface Area: 93.63 Å^2
• Rotatable Bonds: 5