N-ethyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

• ChemBase ID: 671530
• Molecular Formular: C18H21N5O2
• Molecular Mass: 339.39164
• Monoisotopic Mass: 339.16952494
• SMILES: n1c(noc1CCC(=O)N(Cc1n(ccn1)C)CC)c1ccccc1
• Canonical SMILES: CCN(C(=O)CCc1onc(n1)c1ccccc1)Cc1nccn1C
• InChI: InChI=1S/C18H21N5O2/c1-3-23(13-15-19-11-12-22(15)2)17(24)10-9-16-20-18(21-25-16)14-7-5-4-6-8-14/h4-8,11-12H,3,9-10,13H2,1-2H3
• InChIKey: RNKWEORPUFHARQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
• IUPAC Traditional name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
• Synonyms: N-ethyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5818729
• LogD (pH = 7.4): 2.135117
• Log P: 2.153148
• Molar Refractivity: 105.5745 cm^3
• Polarizability: 36.14505 Å^3
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.95
• LOG S: -3.34
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 7