(4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate

C17H13F2NO4 — CID 18727089

IUPAC(4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCc1ccc(OC(=O)N2C(=O)OCC2c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H13F2NO4/c1-10-2-5-12(6-3-10)24-17(22)20-15(9-23-16(20)21)11-4-7-13(18)14(19)8-11/h2-8,15H,9H2,1H3
InChIKeyNIBJHRPBAOPRJJ-UHFFFAOYSA-N
MW333.29 g/mol
LogP3.97
Rot. Bonds2

About (4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate

(4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 18727089) has the molecular formula C17H13F2NO4 and a molecular weight of 333.29 g/mol. Its IUPAC name is (4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID18727089
Molecular FormulaC17H13F2NO4
Molecular Weight333.29 g/mol
Exact Mass333.08
IUPAC Name(4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCc1ccc(OC(=O)N2C(=O)OCC2c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H13F2NO4/c1-10-2-5-12(6-3-10)24-17(22)20-15(9-23-16(20)21)11-4-7-13(18)14(19)8-11/h2-8,15H,9H2,1H3
InChIKeyNIBJHRPBAOPRJJ-UHFFFAOYSA-N
XLogP3.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of (4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate (CID 18727089) is (4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for (4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for (4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate is Cc1ccc(OC(=O)N2C(=O)OCC2c2ccc(F)c(F)c2)cc1.
What is the InChIKey of (4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is NIBJHRPBAOPRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO4/c1-10-2-5-12(6-3-10)24-17(22)20-15(9-23-16(20)21)11-4-7-13(18)14(19)8-11/h2-8,15H,9H2,1H3.
What are the key properties of (4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate?
(4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 333.29 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 18727089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).