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

• ChemBase ID: 516333
• Molecular Formular: C22H22N2O4
• Molecular Mass: 378.42108
• Monoisotopic Mass: 378.15795719
• SMILES: c1(C(=O)N2CC(c3cc4c(cc(cc4)OC)cc3)OCC2)c(C2CC2)ocn1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)C(=O)c1ncoc1C1CC1
• InChI: InChI=1S/C22H22N2O4/c1-26-18-7-6-15-10-17(5-4-16(15)11-18)19-12-24(8-9-27-19)22(25)20-21(14-2-3-14)28-13-23-20/h4-7,10-11,13-14,19H,2-3,8-9,12H2,1H3
• InChIKey: MDOLLNWYAAIPCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6198559
• LogD (pH = 7.4): 2.6198559
• Log P: 2.6198559
• Molar Refractivity: 103.881 cm^3
• Polarizability: 40.801605 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: 2.05
• LOG S: -3.71
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 4