{2-[3-(diphenylmethyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethyl}dimethylamine

• ChemBase ID: 823182
• Molecular Formular: C23H27N3O
• Molecular Mass: 361.47998
• Monoisotopic Mass: 361.2154125
• SMILES: c12c(noc1CCN(C2)CCN(C)C)C(c1ccccc1)c1ccccc1
• Canonical SMILES: CN(CCN1CCc2c(C1)c(no2)C(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C23H27N3O/c1-25(2)15-16-26-14-13-21-20(17-26)23(24-27-21)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,22H,13-17H2,1-2H3
• InChIKey: CAIMSAAOBWKJKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[3-(diphenylmethyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethyl}dimethylamine
• IUPAC Traditional name: {2-[3-(diphenylmethyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethyl}dimethylamine
• Synonyms: 2-[3-(diphenylmethyl)-6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl]-N,N-dimethylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.39263552
• LogD (pH = 7.4): 1.9438065
• Log P: 3.671521
• Molar Refractivity: 111.3422 cm^3
• Polarizability: 42.416664 Å^3
• Polar Surface Area: 32.51 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.71
• LOG S: -4.0
• Polar Surface Area: 32.51 Å^2
• Rotatable Bonds: 6