3-(dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide

• ChemBase ID: 572574
• Molecular Formular: C21H28N2O4
• Molecular Mass: 372.45802
• Monoisotopic Mass: 372.20490739
• SMILES: c1(c(onc1C)C)CCC(=O)N(Cc1ccc(cc1)OC)CC1OCCC1
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)CCc1c(C)noc1C)CC1CCCO1
• InChI: InChI=1S/C21H28N2O4/c1-15-20(16(2)27-22-15)10-11-21(24)23(14-19-5-4-12-26-19)13-17-6-8-18(25-3)9-7-17/h6-9,19H,4-5,10-14H2,1-3H3
• InChIKey: CNVSTOILVXTRJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
• IUPAC Traditional name: 3-(dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
• Synonyms: 3-(3,5-dimethylisoxazol-4-yl)-N-(4-methoxybenzyl)-N-(tetrahydrofuran-2-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.376786
• LogD (pH = 7.4): 2.3768394
• Log P: 2.37684
• Molar Refractivity: 104.0959 cm^3
• Polarizability: 39.70375 Å^3
• Polar Surface Area: 64.8 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: 2.01
• LOG S: -3.63
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 8