3-(diphenylmethyl)-N,N-dimethyl-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide

• ChemBase ID: 851875
• Molecular Formular: C22H23N3O2
• Molecular Mass: 361.43692
• Monoisotopic Mass: 361.17902699
• SMILES: c12c(noc2CCN(C(=O)N(C)C)C1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(N1CCc2c(C1)c(no2)C(c1ccccc1)c1ccccc1)N(C)C
• InChI: InChI=1S/C22H23N3O2/c1-24(2)22(26)25-14-13-19-18(15-25)21(23-27-19)20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,20H,13-15H2,1-2H3
• InChIKey: URMVMQMFVMGWPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(diphenylmethyl)-N,N-dimethyl-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide
• IUPAC Traditional name: 3-(diphenylmethyl)-N,N-dimethyl-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide
• Synonyms: 3-(diphenylmethyl)-N,N-dimethyl-6,7-dihydroisoxazolo[4,5-c]pyridine-5(4H)-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.993577
• LogD (pH = 7.4): 2.9935772
• Log P: 2.9935772
• Molar Refractivity: 106.0644 cm^3
• Polarizability: 39.910038 Å^3
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.52
• LOG S: -4.84
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 3