N,N-dimethyl-5-({3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}methyl)furan-2-carboxamide

• ChemBase ID: 671656
• Molecular Formular: C15H15N3O4
• Molecular Mass: 301.2973
• Monoisotopic Mass: 301.10625598
• SMILES: N1(c2c(OCC1=O)cccn2)Cc1oc(C(=O)N(C)C)cc1
• Canonical SMILES: O=C1COc2c(N1Cc1ccc(o1)C(=O)N(C)C)nccc2
• InChI: InChI=1S/C15H15N3O4/c1-17(2)15(20)12-6-5-10(22-12)8-18-13(19)9-21-11-4-3-7-16-14(11)18/h3-7H,8-9H2,1-2H3
• InChIKey: DAZOWAAQBNKNRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-5-({3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}methyl)furan-2-carboxamide
• IUPAC Traditional name: N,N-dimethyl-5-({3-oxo-2H-pyrido[3,2-b][1,4]oxazin-4-yl}methyl)furan-2-carboxamide
• Synonyms: N,N-dimethyl-5-[(3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl)methyl]-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.0020947438
• LogD (pH = 7.4): -0.0018250174
• Log P: -0.0018215773
• Molar Refractivity: 77.8504 cm^3
• Polarizability: 29.176311 Å^3
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.38
• LOG S: -2.38
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 3