N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 742640
• Molecular Formular: C13H14N6O2
• Molecular Mass: 286.28926
• Monoisotopic Mass: 286.11782372
• SMILES: c12n(nnn1)ccc(C(=O)N(Cc1onc(c1)CC)C)c2
• Canonical SMILES: CCc1noc(c1)CN(C(=O)c1ccn2c(c1)nnn2)C
• InChI: InChI=1S/C13H14N6O2/c1-3-10-7-11(21-15-10)8-18(2)13(20)9-4-5-19-12(6-9)14-16-17-19/h4-7H,3,8H2,1-2H3
• InChIKey: FBLWEELCJPBTEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[(3-ethylisoxazol-5-yl)methyl]-N-methyltetrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.9418473
• LogD (pH = 7.4): 0.9418506
• Log P: 0.94185066
• Molar Refractivity: 88.1731 cm^3
• Polarizability: 27.33937 Å^3
• Polar Surface Area: 89.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.84
• LOG S: -1.88
• Polar Surface Area: 89.42 Å^2
• Rotatable Bonds: 4