N,N-bis(1,3-oxazol-4-ylmethyl)-2-(propan-2-yloxy)propanamide

• ChemBase ID: 847711
• Molecular Formular: C14H19N3O4
• Molecular Mass: 293.31836
• Monoisotopic Mass: 293.1375561
• SMILES: N(C(=O)C(OC(C)C)C)(Cc1ncoc1)Cc1ncoc1
• Canonical SMILES: CC(C(=O)N(Cc1ncoc1)Cc1ncoc1)OC(C)C
• InChI: InChI=1S/C14H19N3O4/c1-10(2)21-11(3)14(18)17(4-12-6-19-8-15-12)5-13-7-20-9-16-13/h6-11H,4-5H2,1-3H3
• InChIKey: ODQUNWRYRZCCRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis(1,3-oxazol-4-ylmethyl)-2-(propan-2-yloxy)propanamide
• IUPAC Traditional name: 2-isopropoxy-N,N-bis(1,3-oxazol-4-ylmethyl)propanamide
• Synonyms: 2-isopropoxy-N,N-bis(1,3-oxazol-4-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.08076028
• LogD (pH = 7.4): 0.080762245
• Log P: 0.08076227
• Molar Refractivity: 73.9736 cm^3
• Polarizability: 28.611618 Å^3
• Polar Surface Area: 81.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.34
• LOG S: -2.36
• Polar Surface Area: 81.6 Å^2
• Rotatable Bonds: 7