{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}[(1-methyl-1H-imidazol-2-yl)methyl](propan-2-yl)amine

• ChemBase ID: 548531
• Molecular Formular: C24H27N5O
• Molecular Mass: 401.50408
• Monoisotopic Mass: 401.22156051
• SMILES: c1(nc(on1)CN(Cc1n(ccn1)C)C(C)C)C(c1ccccc1)c1ccccc1
• Canonical SMILES: CC(N(Cc1nccn1C)Cc1onc(n1)C(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C24H27N5O/c1-18(2)29(16-21-25-14-15-28(21)3)17-22-26-24(27-30-22)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,18,23H,16-17H2,1-3H3
• InChIKey: PVHMNUFRTGYCQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}[(1-methyl-1H-imidazol-2-yl)methyl](propan-2-yl)amine
• IUPAC Traditional name: {[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}(isopropyl)[(1-methylimidazol-2-yl)methyl]amine
• Synonyms: N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-[(1-methyl-1H-imidazol-2-yl)methyl]-2-propanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.0015464
• LogD (pH = 7.4): 4.6150756
• Log P: 4.6360955
• Molar Refractivity: 119.5181 cm^3
• Polarizability: 45.280922 Å^3
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.05
• LOG S: -4.25
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 7