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

C11H10F3NO2 — CID 143901480

IUPAC5-methyl-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
SMILESCC1OCN(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C11H10F3NO2/c1-7-10(16)15(6-17-7)9-4-2-3-8(5-9)11(12,13)14/h2-5,7H,6H2,1H3
InChIKeyRVYXORGGJLLGPR-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.41
Rot. Bonds1

About 5-methyl-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one

5-methyl-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one (PubChem CID 143901480) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 5-methyl-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
PubChem CID143901480
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name5-methyl-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
SMILESCC1OCN(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C11H10F3NO2/c1-7-10(16)15(6-17-7)9-4-2-3-8(5-9)11(12,13)14/h2-5,7H,6H2,1H3
InChIKeyRVYXORGGJLLGPR-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 13284556
(1S,2R,6S,7R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.2.02,6]undec-8-en-3-one
CID 69151810
3-methyl-1-[3-(trifluoromethyl)phenyl]-4-(2,5,5-trimethyloxolan-2-yl)pyrrolidin-2-one
CID 142259073
(3R,4R)-4-ethyl-1,3-bis[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71351790
4-ethyl-1,3-bis[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71341015
(1S,2R,7R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 69106201
(1R,2R,6S,7R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 21239547
(3aR,7aR)-5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 695187
3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 123229345
(3R,4R)-3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 811359
(3R,4S)-4-(chloromethyl)-3-fluoro-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 70482571
(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 5-methyl-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one?
The IUPAC name of 5-methyl-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one (CID 143901480) is 5-methyl-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one.
What is the SMILES notation for 5-methyl-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one?
The canonical SMILES for 5-methyl-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one is CC1OCN(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 5-methyl-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one?
The InChIKey is RVYXORGGJLLGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-7-10(16)15(6-17-7)9-4-2-3-8(5-9)11(12,13)14/h2-5,7H,6H2,1H3.
What are the key properties of 5-methyl-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one?
5-methyl-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one has a molecular weight of 245.20 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one is sourced from PubChem (CID 143901480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).