4-(4-cyclopentylpyrimidin-2-yl)-2-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}morpholine

• ChemBase ID: 464974
• Molecular Formular: C18H25N5O3
• Molecular Mass: 359.4228
• Monoisotopic Mass: 359.19573969
• SMILES: c1(nc(C2CCCC2)ccn1)N1CC(Cc2nc(no2)COC)OCC1
• Canonical SMILES: COCc1noc(n1)CC1OCCN(C1)c1nccc(n1)C1CCCC1
• InChI: InChI=1S/C18H25N5O3/c1-24-12-16-21-17(26-22-16)10-14-11-23(8-9-25-14)18-19-7-6-15(20-18)13-4-2-3-5-13/h6-7,13-14H,2-5,8-12H2,1H3
• InChIKey: MRAAWELRHOARCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-cyclopentylpyrimidin-2-yl)-2-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}morpholine
• IUPAC Traditional name: 4-(4-cyclopentylpyrimidin-2-yl)-2-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}morpholine
• Synonyms: 4-(4-cyclopentylpyrimidin-2-yl)-2-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 2.5312476
• LogD (pH = 7.4): 2.5393274
• Log P: 2.5394316
• Molar Refractivity: 97.3672 cm^3
• Polarizability: 36.318306 Å^3
• Polar Surface Area: 86.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.07
• LOG S: -3.59
• Polar Surface Area: 86.4 Å^2
• Rotatable Bonds: 6