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

C12H7F3N2OS — CID 2324444

IUPAC3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1noc2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C12H7F3N2OS/c1-6-10-7(12(13,14)15)5-8(9-3-2-4-19-9)16-11(10)18-17-6/h2-5H,1H3
InChIKeyVQKBGTNNXKQNKJ-UHFFFAOYSA-N
MW284.26 g/mol
LogP4.28
Rot. Bonds1

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

3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 2324444) has the molecular formula C12H7F3N2OS and a molecular weight of 284.26 g/mol. Its IUPAC name is 3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
PubChem CID2324444
Molecular FormulaC12H7F3N2OS
Molecular Weight284.26 g/mol
Exact Mass284.02
IUPAC Name3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1noc2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C12H7F3N2OS/c1-6-10-7(12(13,14)15)5-8(9-3-2-4-19-9)16-11(10)18-17-6/h2-5H,1H3
InChIKeyVQKBGTNNXKQNKJ-UHFFFAOYSA-N
XLogP4.28
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (CID 2324444) is 3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is Cc1noc2nc(-c3cccs3)cc(C(F)(F)F)c12.
What is the InChIKey of 3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is VQKBGTNNXKQNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2OS/c1-6-10-7(12(13,14)15)5-8(9-3-2-4-19-9)16-11(10)18-17-6/h2-5H,1H3.
What are the key properties of 3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 284.26 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 2324444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).