4-{2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}morpholine

• ChemBase ID: 461403
• Molecular Formular: C14H22N4O3
• Molecular Mass: 294.34948
• Monoisotopic Mass: 294.16919058
• SMILES: n1c(onc1C(C)C)C1N(C(=O)N2CCOCC2)CCC1
• Canonical SMILES: O=C(N1CCCC1c1onc(n1)C(C)C)N1CCOCC1
• InChI: InChI=1S/C14H22N4O3/c1-10(2)12-15-13(21-16-12)11-4-3-5-18(11)14(19)17-6-8-20-9-7-17/h10-11H,3-9H2,1-2H3
• InChIKey: RLCNSMXQMUGJMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}morpholine
• IUPAC Traditional name: 4-[2-(3-isopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]morpholine
• Synonyms: 4-{[2-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]carbonyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.360587
• LogD (pH = 7.4): 1.3605871
• Log P: 1.3605871
• Molar Refractivity: 77.4717 cm^3
• Polarizability: 29.13091 Å^3
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.09
• LOG S: -2.73
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 2