1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-4-(1,2,4-oxadiazol-3-yl)piperidine

• ChemBase ID: 647072
• Molecular Formular: C14H21N5O2
• Molecular Mass: 291.34884
• Monoisotopic Mass: 291.16952494
• SMILES: c1(n(ccn1)CCOC)CN1CCC(c2ncon2)CC1
• Canonical SMILES: COCCn1ccnc1CN1CCC(CC1)c1nocn1
• InChI: InChI=1S/C14H21N5O2/c1-20-9-8-19-7-4-15-13(19)10-18-5-2-12(3-6-18)14-16-11-21-17-14/h4,7,11-12H,2-3,5-6,8-10H2,1H3
• InChIKey: LDOICPSALHYSAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-4-(1,2,4-oxadiazol-3-yl)piperidine
• IUPAC Traditional name: 1-{[1-(2-methoxyethyl)imidazol-2-yl]methyl}-4-(1,2,4-oxadiazol-3-yl)piperidine
• Synonyms: 1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-4-(1,2,4-oxadiazol-3-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.57518077
• LogD (pH = 7.4): 0.47821692
• Log P: 0.55278015
• Molar Refractivity: 79.8594 cm^3
• Polarizability: 29.792793 Å^3
• Polar Surface Area: 69.21 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.09
• LOG S: -1.55
• Polar Surface Area: 69.21 Å^2
• Rotatable Bonds: 6