3-(2-methoxy-5-nitrophenyl)-1,3-oxazolidin-2-one

• ChemBase ID: 283938
• Molecular Formular: C10H10N2O5
• Molecular Mass: 238.1968
• Monoisotopic Mass: 238.05897143
• SMILES: N1(c2cc([N+](=O)[O-])ccc2OC)C(=O)OCC1
• Canonical SMILES: COc1ccc(cc1N1CCOC1=O)[N+](=O)[O-]
• InChI: InChI=1S/C10H10N2O5/c1-16-9-3-2-7(12(14)15)6-8(9)11-4-5-17-10(11)13/h2-3,6H,4-5H2,1H3
• InChIKey: ZJWARTJOUADBIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxy-5-nitrophenyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-(2-methoxy-5-nitrophenyl)-1,3-oxazolidin-2-one
• Synonyms: 3-(2-methoxy-5-nitrophenyl)-1,3-oxazolidin-2-one

Database IDs

• MDL Number: MFCD20502027
• PubChem SID: 180669469
• PubChem CID: 54595804

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.3051014
• LogD (pH = 7.4): 1.3051014
• Log P: 1.3051014
• Molar Refractivity: 57.4794 cm^3
• Polarizability: 21.55708 Å^3
• Polar Surface Area: 84.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 173 - 175°C
• Hydrophobicity(logP): 1.105

Product Information

• Purity: 95%