N-[(1-methyl-1H-imidazol-2-yl)methyl]-5-(propan-2-yl)-N-propyl-1,2-oxazole-3-carboxamide

• ChemBase ID: 729298
• Molecular Formular: C15H22N4O2
• Molecular Mass: 290.36078
• Monoisotopic Mass: 290.17427596
• SMILES: c1(noc(c1)C(C)C)C(=O)N(Cc1n(ccn1)C)CCC
• Canonical SMILES: CCCN(C(=O)c1noc(c1)C(C)C)Cc1nccn1C
• InChI: InChI=1S/C15H22N4O2/c1-5-7-19(10-14-16-6-8-18(14)4)15(20)12-9-13(11(2)3)21-17-12/h6,8-9,11H,5,7,10H2,1-4H3
• InChIKey: GYLIFPOZMSGFFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-methyl-1H-imidazol-2-yl)methyl]-5-(propan-2-yl)-N-propyl-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: 5-isopropyl-N-[(1-methylimidazol-2-yl)methyl]-N-propyl-1,2-oxazole-3-carboxamide
• Synonyms: 5-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propyl-3-isoxazolecarboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 0
• Log P: 0.49
• LOG S: -1.74

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3422977
• LogD (pH = 7.4): 1.8732067
• Log P: 1.8908665
• Molar Refractivity: 81.2088 cm^3
• Polarizability: 30.16526 Å^3
• Polar Surface Area: 64.16 Å^2