[5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl] acetate

C13H10F3NO4 — CID 175279893

IUPAC[5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl] acetate
SMILESCC(=O)Oc1c(-c2ccccc2OC(F)(F)F)noc1C
InChIInChI=1S/C13H10F3NO4/c1-7-12(19-8(2)18)11(17-21-7)9-5-3-4-6-10(9)20-13(14,15)16/h3-6H,1-2H3
InChIKeyONOVCIAMLSDJNJ-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.47
Rot. Bonds3

About [5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl] acetate

[5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl] acetate (PubChem CID 175279893) has the molecular formula C13H10F3NO4 and a molecular weight of 301.22 g/mol. Its IUPAC name is [5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl] acetate.

Molecular Properties

Compound Name[5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl] acetate
PubChem CID175279893
Molecular FormulaC13H10F3NO4
Molecular Weight301.22 g/mol
Exact Mass301.06
IUPAC Name[5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl] acetate
SMILESCC(=O)Oc1c(-c2ccccc2OC(F)(F)F)noc1C
InChIInChI=1S/C13H10F3NO4/c1-7-12(19-8(2)18)11(17-21-7)9-5-3-4-6-10(9)20-13(14,15)16/h3-6H,1-2H3
InChIKeyONOVCIAMLSDJNJ-UHFFFAOYSA-N
XLogP3.47
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanone
CID 70980862
[4-(2-fluorophenyl)piperazin-1-yl]-[5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanone
CID 66575832
1-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanone
CID 16768650
[5-propyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol
CID 68722614
[2-oxo-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate
CID 58832520
5-chloro-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 54883856
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
tert-butyl N-[2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 170553351
tert-butyl (3R)-3-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]butanoate
CID 152900429
(E)-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 16768784
3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7446909
4-(2-bromoethyl)-5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
CID 174559804

Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl] acetate?
The IUPAC name of [5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl] acetate (CID 175279893) is [5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl] acetate.
What is the SMILES notation for [5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl] acetate?
The canonical SMILES for [5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl] acetate is CC(=O)Oc1c(-c2ccccc2OC(F)(F)F)noc1C.
What is the InChIKey of [5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl] acetate?
The InChIKey is ONOVCIAMLSDJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO4/c1-7-12(19-8(2)18)11(17-21-7)9-5-3-4-6-10(9)20-13(14,15)16/h3-6H,1-2H3.
What are the key properties of [5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl] acetate?
[5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl] acetate has a molecular weight of 301.22 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl] acetate is sourced from PubChem (CID 175279893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).