(4-methylphenyl) 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate

C23H23F2NO6 — CID 20668665

IUPAC(4-methylphenyl) 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCc1ccc(OC(=O)N2C(=O)OC(COC3CCCCO3)C2c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C23H23F2NO6/c1-14-5-8-16(9-6-14)31-22(27)26-21(15-7-10-17(24)18(25)12-15)19(32-23(26)28)13-30-20-4-2-3-11-29-20/h5-10,12,19-21H,2-4,11,13H2,1H3
InChIKeyVFDHXUTZRIZFRU-UHFFFAOYSA-N
MW447.43 g/mol
LogP4.88
Rot. Bonds5

About (4-methylphenyl) 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate

(4-methylphenyl) 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 20668665) has the molecular formula C23H23F2NO6 and a molecular weight of 447.43 g/mol. Its IUPAC name is (4-methylphenyl) 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl) 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID20668665
Molecular FormulaC23H23F2NO6
Molecular Weight447.43 g/mol
Exact Mass447.15
IUPAC Name(4-methylphenyl) 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCc1ccc(OC(=O)N2C(=O)OC(COC3CCCCO3)C2c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C23H23F2NO6/c1-14-5-8-16(9-6-14)31-22(27)26-21(15-7-10-17(24)18(25)12-15)19(32-23(26)28)13-30-20-4-2-3-11-29-20/h5-10,12,19-21H,2-4,11,13H2,1H3
InChIKeyVFDHXUTZRIZFRU-UHFFFAOYSA-N
XLogP4.88
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.43
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methylphenyl) 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-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)-5-(oxan-2-yloxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of (4-methylphenyl) 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate (CID 20668665) is (4-methylphenyl) 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for (4-methylphenyl) 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for (4-methylphenyl) 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate is Cc1ccc(OC(=O)N2C(=O)OC(COC3CCCCO3)C2c2ccc(F)c(F)c2)cc1.
What is the InChIKey of (4-methylphenyl) 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is VFDHXUTZRIZFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2NO6/c1-14-5-8-16(9-6-14)31-22(27)26-21(15-7-10-17(24)18(25)12-15)19(32-23(26)28)13-30-20-4-2-3-11-29-20/h5-10,12,19-21H,2-4,11,13H2,1H3.
What are the key properties of (4-methylphenyl) 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate?
(4-methylphenyl) 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 447.43 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 20668665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).