2-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]acetic acid

C13H12F3NO4 — CID 115064614

IUPAC2-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]acetic acid
SMILESCC1(CC(=O)O)COC(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H12F3NO4/c1-12(6-10(18)19)7-21-11(20)17(12)9-4-2-3-8(5-9)13(14,15)16/h2-5H,6-7H2,1H3,(H,18,19)
InChIKeyBWLMPDLWAUQGMX-UHFFFAOYSA-N
MW303.24 g/mol
LogP2.90
Rot. Bonds3

About 2-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]acetic acid

2-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]acetic acid (PubChem CID 115064614) has the molecular formula C13H12F3NO4 and a molecular weight of 303.24 g/mol. Its IUPAC name is 2-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]acetic acid
PubChem CID115064614
Molecular FormulaC13H12F3NO4
Molecular Weight303.24 g/mol
Exact Mass303.07
IUPAC Name2-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]acetic acid
SMILESCC1(CC(=O)O)COC(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H12F3NO4/c1-12(6-10(18)19)7-21-11(20)17(12)9-4-2-3-8(5-9)13(14,15)16/h2-5H,6-7H2,1H3,(H,18,19)
InChIKeyBWLMPDLWAUQGMX-UHFFFAOYSA-N
XLogP2.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid
CID 115064667
2-[4-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-4-yl]acetic acid
CID 115064644
4-(hydroxymethyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 115063945
2-[4-methyl-3-(2-methylphenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid
CID 115064623
4,4-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one
CID 25030122
3-(5-oxo-6-oxa-4-azaspiro[2.4]heptan-4-yl)benzoic acid
CID 105492189
2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid
CID 66748836
2-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]acetic acid
CID 115068704
4-amino-3,4-dimethyl-3-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 66090950
4-methyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione
CID 134116227
4-[3-(trifluoromethyl)phenyl]-1-thia-4-azaspiro[4.5]decan-3-one
CID 755881
(3aS,4R,7S,7aS)-4,7-dimethyl-2-[3-(trifluoromethyl)phenyl]-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 27233869

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]acetic acid?
The IUPAC name of 2-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]acetic acid (CID 115064614) is 2-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]acetic acid is CC1(CC(=O)O)COC(=O)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]acetic acid?
The InChIKey is BWLMPDLWAUQGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO4/c1-12(6-10(18)19)7-21-11(20)17(12)9-4-2-3-8(5-9)13(14,15)16/h2-5H,6-7H2,1H3,(H,18,19).
What are the key properties of 2-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]acetic acid?
2-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]acetic acid has a molecular weight of 303.24 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]acetic acid is sourced from PubChem (CID 115064614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).