4-methyl-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C11H10F3NO2 — CID 67517969

IUPAC4-methyl-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC1COC(=O)N1c1ccccc1C(F)(F)F
InChIInChI=1S/C11H10F3NO2/c1-7-6-17-10(16)15(7)9-5-3-2-4-8(9)11(12,13)14/h2-5,7H,6H2,1H3
InChIKeyOERYDNCTGKVRPR-UHFFFAOYSA-N
MW245.20 g/mol
LogP3.05
Rot. Bonds1

About 4-methyl-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

4-methyl-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 67517969) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 4-methyl-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID67517969
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name4-methyl-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC1COC(=O)N1c1ccccc1C(F)(F)F
InChIInChI=1S/C11H10F3NO2/c1-7-6-17-10(16)15(7)9-5-3-2-4-8(9)11(12,13)14/h2-5,7H,6H2,1H3
InChIKeyOERYDNCTGKVRPR-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Phenyl-2-oxazolidinone
CID 136547
Methyl 2,3-dihydro-1H-indole-1-carboxylate
CID 690083
5-Hexyl-3-m-tolyloxazolidin-2-one
CID 44155420
2-Oxazolidinone, 5-hydroxymethyl-3-(m-trifluoromethylphenyl)-
CID 207130
4-(2-Oxo-1,3-oxazolidin-3-yl)benzonitrile
CID 901132
tert-Butyl indoline-1-carboxylate
CID 3663954
1-(Ethoxyacetyl)indoline
CID 2163142
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[(2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carboxylate
CID 155547201
5-Hexyl-3-p-tolyloxazolidin-2-one
CID 44155534
Ethyl 2-cyano-1(2H)-quinolinecarboxylate
CID 280090
5-((((Methylamino)carbonyl)oxy)methyl)-3-(3-(trifluoromethyl)phenyl)-2-oxazolidinone
CID 198478
(1-Methylpyrrolidin-2-yl)methyl hydrogen (2-methylphenyl)carbonimidate
CID 3032669

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 67517969) is 4-methyl-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is CC1COC(=O)N1c1ccccc1C(F)(F)F.
What is the InChIKey of 4-methyl-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is OERYDNCTGKVRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-7-6-17-10(16)15(7)9-5-3-2-4-8(9)11(12,13)14/h2-5,7H,6H2,1H3.
What are the key properties of 4-methyl-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
4-methyl-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 245.20 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67517969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).