5-cyclobutyl-N-methyl-N-{[3-(pyridin-4-yl)-1,2-oxazol-5-yl]methyl}-1,3,4-oxadiazol-2-amine

• ChemBase ID: 625948
• Molecular Formular: C16H17N5O2
• Molecular Mass: 311.33848
• Monoisotopic Mass: 311.13822481
• SMILES: c1(oc(nn1)C1CCC1)N(Cc1cc(no1)c1ccncc1)C
• Canonical SMILES: CN(c1nnc(o1)C1CCC1)Cc1onc(c1)c1ccncc1
• InChI: InChI=1S/C16H17N5O2/c1-21(16-19-18-15(22-16)12-3-2-4-12)10-13-9-14(20-23-13)11-5-7-17-8-6-11/h5-9,12H,2-4,10H2,1H3
• InChIKey: FHBZCADJCQZLGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclobutyl-N-methyl-N-{[3-(pyridin-4-yl)-1,2-oxazol-5-yl]methyl}-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: 5-cyclobutyl-N-methyl-N-{[3-(pyridin-4-yl)-1,2-oxazol-5-yl]methyl}-1,3,4-oxadiazol-2-amine
• Synonyms: 5-cyclobutyl-N-methyl-N-[(3-pyridin-4-ylisoxazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.9140381
• LogD (pH = 7.4): 1.9187711
• Log P: 1.918832
• Molar Refractivity: 85.8658 cm^3
• Polarizability: 32.458576 Å^3
• Polar Surface Area: 81.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.34
• LOG S: -2.98
• Polar Surface Area: 81.08 Å^2
• Rotatable Bonds: 5