N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide

• ChemBase ID: 788330
• Molecular Formular: C19H19N3O3
• Molecular Mass: 337.37246
• Monoisotopic Mass: 337.14264148
• SMILES: c1(c(=O)c2c3n(c1)CCc3ccc2)C(=O)N(Cc1onc(c1)CC)C
• Canonical SMILES: CN(C(=O)c1cn2CCc3c2c(c1=O)ccc3)Cc1cc(no1)CC
• InChI: InChI=1S/C19H19N3O3/c1-3-13-9-14(25-20-13)10-21(2)19(24)16-11-22-8-7-12-5-4-6-15(17(12)22)18(16)23/h4-6,9,11H,3,7-8,10H2,1-2H3
• InChIKey: NVSFGLNCUHDYMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-9-oxo-1-azatricyclo[6.3.1.0^4,^1^2]dodeca-4(12),5,7,10-tetraene-10-carboxamide
• IUPAC Traditional name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-9-oxo-1-azatricyclo[6.3.1.0^4,^1^2]dodeca-4(12),5,7,10-tetraene-10-carboxamide
• Synonyms: N-[(3-ethylisoxazol-5-yl)methyl]-N-methyl-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8943257
• LogD (pH = 7.4): 1.8943291
• Log P: 1.8943291
• Molar Refractivity: 95.4035 cm^3
• Polarizability: 34.878845 Å^3
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.05
• LOG S: -3.01
• Polar Surface Area: 68.34 Å^2
• Rotatable Bonds: 4