3-(4-amino-2-methoxyphenyl)-1,3-oxazolidin-2-one

• ChemBase ID: 264158
• Molecular Formular: C10H12N2O3
• Molecular Mass: 208.21388
• Monoisotopic Mass: 208.08479225
• SMILES: N1(C(=O)OCC1)c1c(cc(cc1)N)OC
• Canonical SMILES: COc1cc(N)ccc1N1CCOC1=O
• InChI: InChI=1S/C10H12N2O3/c1-14-9-6-7(11)2-3-8(9)12-4-5-15-10(12)13/h2-3,6H,4-5,11H2,1H3
• InChIKey: PCNPNIYZSBXYEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-amino-2-methoxyphenyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-(4-amino-2-methoxyphenyl)-1,3-oxazolidin-2-one
• Synonyms: 3-(4-amino-2-methoxyphenyl)-1,3-oxazolidin-2-one

Database IDs

• MDL Number: MFCD11167811
• PubChem SID: 164320068
• PubChem CID: 28740356

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5337487
• LogD (pH = 7.4): 0.5361604
• Log P: 0.5361912
• Molar Refractivity: 54.8551 cm^3
• Polarizability: 20.712997 Å^3
• Polar Surface Area: 64.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.0050

Product Information

• Purity: 95%