(cyclopropylmethyl)({[5-methyl-2-(naphthalen-2-yl)-1,3-oxazol-4-yl]methyl})(oxolan-2-ylmethyl)amine

• ChemBase ID: 609693
• Molecular Formular: C24H28N2O2
• Molecular Mass: 376.49132
• Monoisotopic Mass: 376.21507815
• SMILES: n1c(c(oc1c1cc2c(cc1)cccc2)C)CN(CC1CC1)CC1OCCC1
• Canonical SMILES: Cc1oc(nc1CN(CC1CCCO1)CC1CC1)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C24H28N2O2/c1-17-23(16-26(14-18-8-9-18)15-22-7-4-12-27-22)25-24(28-17)21-11-10-19-5-2-3-6-20(19)13-21/h2-3,5-6,10-11,13,18,22H,4,7-9,12,14-16H2,1H3
• InChIKey: UXQPNCNRUDPADQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopropylmethyl)({[5-methyl-2-(naphthalen-2-yl)-1,3-oxazol-4-yl]methyl})(oxolan-2-ylmethyl)amine
• IUPAC Traditional name: (cyclopropylmethyl)({[5-methyl-2-(naphthalen-2-yl)-1,3-oxazol-4-yl]methyl})(oxolan-2-ylmethyl)amine
• Synonyms: (cyclopropylmethyl){[5-methyl-2-(2-naphthyl)-1,3-oxazol-4-yl]methyl}(tetrahydro-2-furanylmethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8503101
• LogD (pH = 7.4): 3.6179504
• Log P: 4.3509803
• Molar Refractivity: 121.6861 cm^3
• Polarizability: 45.08722 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.8
• LOG S: -4.57
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 7