5-[5-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-1,2,3,4-tetrahydro-2,7-naphthyridine

• ChemBase ID: 702906
• Molecular Formular: C17H17N5O2
• Molecular Mass: 323.34918
• Monoisotopic Mass: 323.13822481
• SMILES: c1(nc(c2noc(c2)C2CC2)on1)c1c2c(cnc1C)CNCC2
• Canonical SMILES: Cc1ncc2c(c1c1noc(n1)c1noc(c1)C1CC1)CCNC2
• InChI: InChI=1S/C17H17N5O2/c1-9-15(12-4-5-18-7-11(12)8-19-9)16-20-17(24-22-16)13-6-14(23-21-13)10-2-3-10/h6,8,10,18H,2-5,7H2,1H3
• InChIKey: JWEWAKHIRQAOLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[5-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-1,2,3,4-tetrahydro-2,7-naphthyridine
• IUPAC Traditional name: 4-[5-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridine
• Synonyms: 5-[5-(5-cyclopropyl-3-isoxazolyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1,2,3,4-tetrahydro-2,7-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.9723186
• LogD (pH = 7.4): 0.5882833
• Log P: 2.1337125
• Molar Refractivity: 109.5921 cm^3
• Polarizability: 33.844326 Å^3
• Polar Surface Area: 89.87 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.98
• LOG S: -1.39
• Polar Surface Area: 89.87 Å^2
• Rotatable Bonds: 3