{[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]amine

• ChemBase ID: 597928
• Molecular Formular: C17H19N5O2
• Molecular Mass: 325.36506
• Monoisotopic Mass: 325.15387487
• SMILES: c1(nc(on1)CNCc1nc2c(c(n1)C)CCCC2)c1occc1
• Canonical SMILES: Cc1nc(CNCc2onc(n2)c2ccco2)nc2c1CCCC2
• InChI: InChI=1S/C17H19N5O2/c1-11-12-5-2-3-6-13(12)20-15(19-11)9-18-10-16-21-17(22-24-16)14-7-4-8-23-14/h4,7-8,18H,2-3,5-6,9-10H2,1H3
• InChIKey: HYFYMISSFPZLBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]amine
• IUPAC Traditional name: {[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]amine
• Synonyms: 1-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.596789
• LogD (pH = 7.4): 2.6647742
• Log P: 2.6657135
• Molar Refractivity: 99.4886 cm^3
• Polarizability: 33.87405 Å^3
• Polar Surface Area: 89.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.12
• LOG S: -1.52
• Polar Surface Area: 89.87 Å^2
• Rotatable Bonds: 5