4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-(6-methoxynaphthalen-2-yl)morpholine

• ChemBase ID: 331677
• Molecular Formular: C22H22N2O4
• Molecular Mass: 378.42108
• Monoisotopic Mass: 378.15795719
• SMILES: c1(noc(c1)C1CC1)C(=O)N1CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)C(=O)c1noc(c1)C1CC1
• InChI: InChI=1S/C22H22N2O4/c1-26-18-7-6-15-10-17(5-4-16(15)11-18)21-13-24(8-9-27-21)22(25)19-12-20(28-23-19)14-2-3-14/h4-7,10-12,14,21H,2-3,8-9,13H2,1H3
• InChIKey: NPVBOZKXGFDLRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-(6-methoxynaphthalen-2-yl)morpholine
• IUPAC Traditional name: 4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-(6-methoxynaphthalen-2-yl)morpholine
• Synonyms: 4-[(5-cyclopropylisoxazol-3-yl)carbonyl]-2-(6-methoxy-2-naphthyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0425098
• LogD (pH = 7.4): 3.0425098
• Log P: 3.0425098
• Molar Refractivity: 104.6136 cm^3
• Polarizability: 40.804813 Å^3
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.01
• LOG S: -3.68
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 4