N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylcyclohexanamine

• ChemBase ID: 448230
• Molecular Formular: C23H27N3O
• Molecular Mass: 361.47998
• Monoisotopic Mass: 361.2154125
• SMILES: c1(nc(on1)CN(C1CCCCC1)C)C(c1ccccc1)c1ccccc1
• Canonical SMILES: CN(C1CCCCC1)Cc1onc(n1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H27N3O/c1-26(20-15-9-4-10-16-20)17-21-24-23(25-27-21)22(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-3,5-8,11-14,20,22H,4,9-10,15-17H2,1H3
• InChIKey: GRNLAQMZLMGVCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylcyclohexanamine
• IUPAC Traditional name: N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylcyclohexanamine
• Synonyms: N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylcyclohexanamine

CALCULATED PROPERTIES

JChem

• Log P: 5.600431
• Molar Refractivity: 109.5738 cm^3
• Polarizability: 41.923035 Å^3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4213488
• LogD (pH = 7.4): 5.129875

供应商提供(Chembridge)

• Log P: 4.63
• LOG S: -4.55
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 0