4-methyl-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one

C10H8F3NO2 — CID 77401683

IUPAC4-methyl-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one
SMILESCC1NC(=O)OC1c1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H8F3NO2/c1-4-9(16-10(15)14-4)5-2-6(11)8(13)7(12)3-5/h2-4,9H,1H3,(H,14,15)
InChIKeyYJBLOUZDOVVELN-UHFFFAOYSA-N
MW231.17 g/mol
LogP2.27
Rot. Bonds1

About 4-methyl-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one

4-methyl-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 77401683) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 4-methyl-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one
PubChem CID77401683
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name4-methyl-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one
SMILESCC1NC(=O)OC1c1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H8F3NO2/c1-4-9(16-10(15)14-4)5-2-6(11)8(13)7(12)3-5/h2-4,9H,1H3,(H,14,15)
InChIKeyYJBLOUZDOVVELN-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-((Benzyloxy)methyl)oxazolidin-2-one
CID 2771944
5-Phenyl-1,3-oxazolidin-2-one
CID 202193
(5S)-5-phenyl-1,3-oxazolidin-2-one
CID 10855806
3,4-Dimethyl-5-Phenyl-1,3-Oxazolidin-2-One
CID 237192
Ephedroxane
CID 161171
Profexalone
CID 65786
(2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane
CID 9861019
4-Methyl-5-phenyl-2-oxazolidinone, (4S,5R)-
CID 853161
(4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinone
CID 9859564
(4R,5S)-(+)-cis-4,5-Diphenyl-2-oxazolidinone
CID 10868374
4-Methyl-5-phenyl-1,3-oxazolidin-2-one
CID 250174
(4S,5R)-4-benzyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-oxazolidin-2-one
CID 11540938

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one (CID 77401683) is 4-methyl-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one is CC1NC(=O)OC1c1cc(F)c(F)c(F)c1.
What is the InChIKey of 4-methyl-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is YJBLOUZDOVVELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c1-4-9(16-10(15)14-4)5-2-6(11)8(13)7(12)3-5/h2-4,9H,1H3,(H,14,15).
What are the key properties of 4-methyl-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one?
4-methyl-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 231.17 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 77401683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).