6-methyl-2-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridine

C8H5F3N2O — CID 133056442

IUPAC6-methyl-2-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1cnc2nc(C(F)(F)F)oc2c1
InChIInChI=1S/C8H5F3N2O/c1-4-2-5-6(12-3-4)13-7(14-5)8(9,10)11/h2-3H,1H3
InChIKeyWVPRMSDQPLWDHN-UHFFFAOYSA-N
MW202.13 g/mol
LogP2.55
Rot. Bonds

About 6-methyl-2-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridine

6-methyl-2-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 133056442) has the molecular formula C8H5F3N2O and a molecular weight of 202.13 g/mol. Its IUPAC name is 6-methyl-2-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-methyl-2-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID133056442
Molecular FormulaC8H5F3N2O
Molecular Weight202.13 g/mol
Exact Mass202.04
IUPAC Name6-methyl-2-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1cnc2nc(C(F)(F)F)oc2c1
InChIInChI=1S/C8H5F3N2O/c1-4-2-5-6(12-3-4)13-7(14-5)8(9,10)11/h2-3H,1H3
InChIKeyWVPRMSDQPLWDHN-UHFFFAOYSA-N
XLogP2.55
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
CID 79015215
4-methyl-2-(trifluoromethyl)-1,3-benzoxazole
CID 13278515
6-methyl-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137176452
3-fluoro-5-methyl-2-(trifluoromethyl)pyridine
CID 23568437
6-fluoro-2-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337654
5-methyl-2-(trifluoromethyl)pyridin-3-amine
CID 75488647
3-bromo-5-methyl-2-(trifluoromethyl)pyridine
CID 83919393
4,4,4-trifluoro-1-[6-(4-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]butan-1-one
CID 122698276
5-methyl-2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]pyrimidine
CID 157058783
2-methyl-[1,3]oxazolo[4,5-b]pyridine-6-carbaldehyde
CID 82415352
6-ethenyl-2-methyl-[1,3]oxazolo[4,5-b]pyridine
CID 146284850
6-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine
CID 103208878

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 6-methyl-2-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridine (CID 133056442) is 6-methyl-2-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 6-methyl-2-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 6-methyl-2-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridine is Cc1cnc2nc(C(F)(F)F)oc2c1.
What is the InChIKey of 6-methyl-2-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is WVPRMSDQPLWDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c1-4-2-5-6(12-3-4)13-7(14-5)8(9,10)11/h2-3H,1H3.
What are the key properties of 6-methyl-2-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridine?
6-methyl-2-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 202.13 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 133056442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).