4-(1H-imidazol-1-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)benzamide

• ChemBase ID: 835608
• Molecular Formular: C18H15N5O3
• Molecular Mass: 349.3434
• Monoisotopic Mass: 349.11748937
• SMILES: N(C(=O)c1ccc(n2cncc2)cc1)(Cc1ncoc1)Cc1ncoc1
• Canonical SMILES: O=C(N(Cc1cocn1)Cc1cocn1)c1ccc(cc1)n1cncc1
• InChI: InChI=1S/C18H15N5O3/c24-18(14-1-3-17(4-2-14)22-6-5-19-11-22)23(7-15-9-25-12-20-15)8-16-10-26-13-21-16/h1-6,9-13H,7-8H2
• InChIKey: NEZIQNGBNWJFDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1H-imidazol-1-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)benzamide
• IUPAC Traditional name: 4-(imidazol-1-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)benzamide
• Synonyms: 4-(1H-imidazol-1-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.05473551
• LogD (pH = 7.4): 0.49752668
• Log P: 0.5300755
• Molar Refractivity: 102.4778 cm^3
• Polarizability: 35.108505 Å^3
• Polar Surface Area: 90.19 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.49
• LOG S: -2.64
• Polar Surface Area: 90.19 Å^2
• Rotatable Bonds: 6