3-methyl-4-(trifluoromethyl)-7H-[1,2]oxazolo[5,4-b]pyridin-6-one

C8H5F3N2O2 — CID 135431965

IUPAC3-methyl-4-(trifluoromethyl)-7H-[1,2]oxazolo[5,4-b]pyridin-6-one
SMILESCc1noc2[nH]c(=O)cc(C(F)(F)F)c12
InChIInChI=1S/C8H5F3N2O2/c1-3-6-4(8(9,10)11)2-5(14)12-7(6)15-13-3/h2H,1H3,(H,12,14)
InChIKeyRGQRHWVSIRUQIA-UHFFFAOYSA-N
MW218.13 g/mol
LogP1.84
Rot. Bonds

About 3-methyl-4-(trifluoromethyl)-7H-[1,2]oxazolo[5,4-b]pyridin-6-one

3-methyl-4-(trifluoromethyl)-7H-[1,2]oxazolo[5,4-b]pyridin-6-one (PubChem CID 135431965) has the molecular formula C8H5F3N2O2 and a molecular weight of 218.13 g/mol. Its IUPAC name is 3-methyl-4-(trifluoromethyl)-7H-[1,2]oxazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-methyl-4-(trifluoromethyl)-7H-[1,2]oxazolo[5,4-b]pyridin-6-one
PubChem CID135431965
Molecular FormulaC8H5F3N2O2
Molecular Weight218.13 g/mol
Exact Mass218.03
IUPAC Name3-methyl-4-(trifluoromethyl)-7H-[1,2]oxazolo[5,4-b]pyridin-6-one
SMILESCc1noc2[nH]c(=O)cc(C(F)(F)F)c12
InChIInChI=1S/C8H5F3N2O2/c1-3-6-4(8(9,10)11)2-5(14)12-7(6)15-13-3/h2H,1H3,(H,12,14)
InChIKeyRGQRHWVSIRUQIA-UHFFFAOYSA-N
XLogP1.84
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-(trifluoromethyl)-7H-[1,2]oxazolo[5,4-b]pyridin-6-one 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

6-chloro-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
CID 83401031
6-bromo-8-methyl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 131847437
6-bromo-5-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one
CID 21094385
6-(4-chlorophenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
CID 29091098
6-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
CID 29091558
methyl 6-oxo-2-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 134666243
6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane
CID 142046924
6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-one
CID 10775162
6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile
CID 133087830
3-methyl-4-(trifluoromethyl)-2H-pyrano[2,3-c]pyrazol-6-one
CID 23661464
4-(trifluoromethyl)-7H-thieno[2,3-b]pyridin-6-one
CID 168966863
7-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-5-one
CID 168966904

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(trifluoromethyl)-7H-[1,2]oxazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-methyl-4-(trifluoromethyl)-7H-[1,2]oxazolo[5,4-b]pyridin-6-one (CID 135431965) is 3-methyl-4-(trifluoromethyl)-7H-[1,2]oxazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-methyl-4-(trifluoromethyl)-7H-[1,2]oxazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-methyl-4-(trifluoromethyl)-7H-[1,2]oxazolo[5,4-b]pyridin-6-one is Cc1noc2[nH]c(=O)cc(C(F)(F)F)c12.
What is the InChIKey of 3-methyl-4-(trifluoromethyl)-7H-[1,2]oxazolo[5,4-b]pyridin-6-one?
The InChIKey is RGQRHWVSIRUQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2/c1-3-6-4(8(9,10)11)2-5(14)12-7(6)15-13-3/h2H,1H3,(H,12,14).
What are the key properties of 3-methyl-4-(trifluoromethyl)-7H-[1,2]oxazolo[5,4-b]pyridin-6-one?
3-methyl-4-(trifluoromethyl)-7H-[1,2]oxazolo[5,4-b]pyridin-6-one has a molecular weight of 218.13 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(trifluoromethyl)-7H-[1,2]oxazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135431965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).