3-ethyl-N-[3-(1H-imidazol-1-yl)propyl]-5-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide

• ChemBase ID: 438305
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: c1(C(=O)N(Cc2cnccc2)CCCn2cncc2)c(onc1CC)C
• Canonical SMILES: CCc1noc(c1C(=O)N(Cc1cccnc1)CCCn1cncc1)C
• InChI: InChI=1S/C19H23N5O2/c1-3-17-18(15(2)26-22-17)19(25)24(13-16-6-4-7-20-12-16)10-5-9-23-11-8-21-14-23/h4,6-8,11-12,14H,3,5,9-10,13H2,1-2H3
• InChIKey: FAZRALUTDSJDIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-N-[3-(1H-imidazol-1-yl)propyl]-5-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
• IUPAC Traditional name: 3-ethyl-N-[3-(imidazol-1-yl)propyl]-5-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
• Synonyms: 3-ethyl-N-[3-(1H-imidazol-1-yl)propyl]-5-methyl-N-(pyridin-3-ylmethyl)isoxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5358317
• LogD (pH = 7.4): 1.0712636
• Log P: 1.1409383
• Molar Refractivity: 100.0015 cm^3
• Polarizability: 37.00412 Å^3
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.13
• LOG S: -1.9
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 8