3-(dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

• ChemBase ID: 674036
• Molecular Formular: C15H20N2O3
• Molecular Mass: 276.3309
• Monoisotopic Mass: 276.14739251
• SMILES: c1(c(onc1C)C)CCC(=O)N(Cc1oc(cc1)C)C
• Canonical SMILES: Cc1ccc(o1)CN(C(=O)CCc1c(C)noc1C)C
• InChI: InChI=1S/C15H20N2O3/c1-10-5-6-13(19-10)9-17(4)15(18)8-7-14-11(2)16-20-12(14)3/h5-6H,7-9H2,1-4H3
• InChIKey: KLBGOIPXADQTJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
• IUPAC Traditional name: 3-(dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
• Synonyms: 3-(3,5-dimethyl-4-isoxazolyl)-N-methyl-N-[(5-methyl-2-furyl)methyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3756764
• LogD (pH = 7.4): 1.3757296
• Log P: 1.3757303
• Molar Refractivity: 76.9186 cm^3
• Polarizability: 28.505634 Å^3
• Polar Surface Area: 59.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.93
• LOG S: -3.06
• Polar Surface Area: 59.48 Å^2
• Rotatable Bonds: 5