2,3-dimethyl-6-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]quinoxaline

• ChemBase ID: 675108
• Molecular Formular: C17H19N5O2
• Molecular Mass: 325.36506
• Monoisotopic Mass: 325.15387487
• SMILES: n1c(onc1CN1CCOCC1)c1cc2nc(c(nc2cc1)C)C
• Canonical SMILES: Cc1nc2ccc(cc2nc1C)c1onc(n1)CN1CCOCC1
• InChI: InChI=1S/C17H19N5O2/c1-11-12(2)19-15-9-13(3-4-14(15)18-11)17-20-16(21-24-17)10-22-5-7-23-8-6-22/h3-4,9H,5-8,10H2,1-2H3
• InChIKey: LDQSWNDBKLTITL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethyl-6-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]quinoxaline
• IUPAC Traditional name: 2,3-dimethyl-6-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]quinoxaline
• Synonyms: 2,3-dimethyl-6-[3-(4-morpholinylmethyl)-1,2,4-oxadiazol-5-yl]quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.6111848
• LogD (pH = 7.4): 1.6630658
• Log P: 1.6637688
• Molar Refractivity: 99.479 cm^3
• Polarizability: 35.667538 Å^3
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.94
• LOG S: -2.22
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 3