4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C11H10F3NO2 — CID 77401770

IUPAC4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC1NC(=O)OC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3NO2/c1-6-9(17-10(16)15-6)7-3-2-4-8(5-7)11(12,13)14/h2-6,9H,1H3,(H,15,16)
InChIKeySCYRKGFZFOFXEL-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.87
Rot. Bonds1

About 4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 77401770) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID77401770
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC1NC(=O)OC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3NO2/c1-6-9(17-10(16)15-6)7-3-2-4-8(5-7)11(12,13)14/h2-6,9H,1H3,(H,15,16)
InChIKeySCYRKGFZFOFXEL-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 69224006
(4S)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 118602022
(4S)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 126691968
(4S,5S)-5-(3-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 134527726
5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-2,4-dione
CID 13092013
(5S)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 97000628
(4S)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one
CID 171185732
1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 90179148
(5R)-5-(3,5-dichlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 70899650
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
4-imino-1-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 138388996
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 77401770) is 4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is CC1NC(=O)OC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is SCYRKGFZFOFXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-6-9(17-10(16)15-6)7-3-2-4-8(5-7)11(12,13)14/h2-6,9H,1H3,(H,15,16).
What are the key properties of 4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 245.20 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 77401770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).