7-methoxy-N-{[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl}-1,2,3,4-tetrahydronaphthalen-2-amine

• ChemBase ID: 606542
• Molecular Formular: C19H26N2O2
• Molecular Mass: 314.42194
• Monoisotopic Mass: 314.19942808
• SMILES: n1oc(cc1CNC1Cc2c(ccc(c2)OC)CC1)CC(C)C
• Canonical SMILES: COc1ccc2c(c1)CC(CC2)NCc1noc(c1)CC(C)C
• InChI: InChI=1S/C19H26N2O2/c1-13(2)8-19-11-17(21-23-19)12-20-16-6-4-14-5-7-18(22-3)10-15(14)9-16/h5,7,10-11,13,16,20H,4,6,8-9,12H2,1-3H3
• InChIKey: GJOOEMMXCRXPFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-N-{[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl}-1,2,3,4-tetrahydronaphthalen-2-amine
• IUPAC Traditional name: 7-methoxy-N-{[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl}-1,2,3,4-tetrahydronaphthalen-2-amine
• Synonyms: N-[(5-isobutylisoxazol-3-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1840632
• LogD (pH = 7.4): 2.905042
• Log P: 3.8309708
• Molar Refractivity: 92.4607 cm^3
• Polarizability: 35.55605 Å^3
• Polar Surface Area: 47.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.67
• LOG S: -3.62
• Polar Surface Area: 47.29 Å^2
• Rotatable Bonds: 6