5-O-methyl 3-O-(4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3,5-dicarboxylate

C19H15F2NO6 — CID 20668666

IUPAC5-O-methyl 3-O-(4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3,5-dicarboxylate
SMILESCOC(=O)C1OC(=O)N(C(=O)Oc2ccc(C)cc2)C1c1ccc(F)c(F)c1
InChIInChI=1S/C19H15F2NO6/c1-10-3-6-12(7-4-10)27-18(24)22-15(11-5-8-13(20)14(21)9-11)16(17(23)26-2)28-19(22)25/h3-9,15-16H,1-2H3
InChIKeyHSTHCKAHXMXUIC-UHFFFAOYSA-N
MW391.33 g/mol
LogP3.51
Rot. Bonds3

About 5-O-methyl 3-O-(4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3,5-dicarboxylate

5-O-methyl 3-O-(4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3,5-dicarboxylate (PubChem CID 20668666) has the molecular formula C19H15F2NO6 and a molecular weight of 391.33 g/mol. Its IUPAC name is 5-O-methyl 3-O-(4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3,5-dicarboxylate.

Molecular Properties

Compound Name5-O-methyl 3-O-(4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3,5-dicarboxylate
PubChem CID20668666
Molecular FormulaC19H15F2NO6
Molecular Weight391.33 g/mol
Exact Mass391.09
IUPAC Name5-O-methyl 3-O-(4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3,5-dicarboxylate
SMILESCOC(=O)C1OC(=O)N(C(=O)Oc2ccc(C)cc2)C1c1ccc(F)c(F)c1
InChIInChI=1S/C19H15F2NO6/c1-10-3-6-12(7-4-10)27-18(24)22-15(11-5-8-13(20)14(21)9-11)16(17(23)26-2)28-19(22)25/h3-9,15-16H,1-2H3
InChIKeyHSTHCKAHXMXUIC-UHFFFAOYSA-N
XLogP3.51
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-O-methyl 3-O-(4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3,5-dicarboxylate?
The IUPAC name of 5-O-methyl 3-O-(4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3,5-dicarboxylate (CID 20668666) is 5-O-methyl 3-O-(4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3,5-dicarboxylate.
What is the SMILES notation for 5-O-methyl 3-O-(4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3,5-dicarboxylate?
The canonical SMILES for 5-O-methyl 3-O-(4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3,5-dicarboxylate is COC(=O)C1OC(=O)N(C(=O)Oc2ccc(C)cc2)C1c1ccc(F)c(F)c1.
What is the InChIKey of 5-O-methyl 3-O-(4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3,5-dicarboxylate?
The InChIKey is HSTHCKAHXMXUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO6/c1-10-3-6-12(7-4-10)27-18(24)22-15(11-5-8-13(20)14(21)9-11)16(17(23)26-2)28-19(22)25/h3-9,15-16H,1-2H3.
What are the key properties of 5-O-methyl 3-O-(4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3,5-dicarboxylate?
5-O-methyl 3-O-(4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3,5-dicarboxylate has a molecular weight of 391.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-methyl 3-O-(4-methylphenyl) 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3,5-dicarboxylate is sourced from PubChem (CID 20668666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).