N-(1H-indol-5-yl)-2-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}morpholine-4-carboxamide

• ChemBase ID: 666657
• Molecular Formular: C18H21N5O4
• Molecular Mass: 371.39044
• Monoisotopic Mass: 371.15935418
• SMILES: n1c(onc1COC)CC1CN(C(=O)Nc2cc3c([nH]cc3)cc2)CCO1
• Canonical SMILES: COCc1noc(n1)CC1OCCN(C1)C(=O)Nc1ccc2c(c1)cc[nH]2
• InChI: InChI=1S/C18H21N5O4/c1-25-11-16-21-17(27-22-16)9-14-10-23(6-7-26-14)18(24)20-13-2-3-15-12(8-13)4-5-19-15/h2-5,8,14,19H,6-7,9-11H2,1H3,(H,20,24)
• InChIKey: JULBMRHHDHPJDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.169472
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.5771859
• LogD (pH = 7.4): 1.5771852
• Log P: 1.5771859
• Molar Refractivity: 99.5552 cm^3
• Polarizability: 37.985577 Å^3
• Polar Surface Area: 105.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -0.12
• LOG S: -3.11
• Polar Surface Area: 105.51 Å^2
• Rotatable Bonds: 5