4-(3-{3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2,2-dimethylpropyl)morpholine

• ChemBase ID: 383717
• Molecular Formular: C19H34N4O3
• Molecular Mass: 366.49826
• Monoisotopic Mass: 366.26309097
• SMILES: n1c(onc1CCOC)C1CN(CC(CN2CCOCC2)(C)C)CCC1
• Canonical SMILES: COCCc1noc(n1)C1CCCN(C1)CC(CN1CCOCC1)(C)C
• InChI: InChI=1S/C19H34N4O3/c1-19(2,14-22-8-11-25-12-9-22)15-23-7-4-5-16(13-23)18-20-17(21-26-18)6-10-24-3/h16H,4-15H2,1-3H3
• InChIKey: CHPSCRXIPCCZGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-{3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2,2-dimethylpropyl)morpholine
• IUPAC Traditional name: 4-(3-{3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2,2-dimethylpropyl)morpholine
• Synonyms: 4-(3-{3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}-2,2-dimethylpropyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -2.1164396
• LogD (pH = 7.4): 0.14860086
• Log P: 1.8426046
• Molar Refractivity: 103.1826 cm^3
• Polarizability: 39.58172 Å^3
• Polar Surface Area: 63.86 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.1
• LOG S: -1.8
• Polar Surface Area: 63.86 Å^2
• Rotatable Bonds: 8