2-[5-(4-fluoro-3-methylphenyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid

C13H14FNO4 — CID 82092175

IUPAC2-[5-(4-fluoro-3-methylphenyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid
SMILESCc1cc(C2(C)CN(CC(=O)O)C(=O)O2)ccc1F
InChIInChI=1S/C13H14FNO4/c1-8-5-9(3-4-10(8)14)13(2)7-15(6-11(16)17)12(18)19-13/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKeyPMDLLACCRCIGHH-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.89
Rot. Bonds3

About 2-[5-(4-fluoro-3-methylphenyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid

2-[5-(4-fluoro-3-methylphenyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid (PubChem CID 82092175) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is 2-[5-(4-fluoro-3-methylphenyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-fluoro-3-methylphenyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid
PubChem CID82092175
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name2-[5-(4-fluoro-3-methylphenyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid
SMILESCc1cc(C2(C)CN(CC(=O)O)C(=O)O2)ccc1F
InChIInChI=1S/C13H14FNO4/c1-8-5-9(3-4-10(8)14)13(2)7-15(6-11(16)17)12(18)19-13/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKeyPMDLLACCRCIGHH-UHFFFAOYSA-N
XLogP1.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluoro-3-methylphenyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid?
The IUPAC name of 2-[5-(4-fluoro-3-methylphenyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid (CID 82092175) is 2-[5-(4-fluoro-3-methylphenyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-fluoro-3-methylphenyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid?
The canonical SMILES for 2-[5-(4-fluoro-3-methylphenyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid is Cc1cc(C2(C)CN(CC(=O)O)C(=O)O2)ccc1F.
What is the InChIKey of 2-[5-(4-fluoro-3-methylphenyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid?
The InChIKey is PMDLLACCRCIGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c1-8-5-9(3-4-10(8)14)13(2)7-15(6-11(16)17)12(18)19-13/h3-5H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[5-(4-fluoro-3-methylphenyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid?
2-[5-(4-fluoro-3-methylphenyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid has a molecular weight of 267.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluoro-3-methylphenyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid is sourced from PubChem (CID 82092175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).