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

C12H7F3N2OS — CID 82337921

IUPAC2-(thiophen-2-ylmethyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cnc2oc(Cc3cccs3)nc2c1
InChIInChI=1S/C12H7F3N2OS/c13-12(14,15)7-4-9-11(16-6-7)18-10(17-9)5-8-2-1-3-19-8/h1-4,6H,5H2
InChIKeySCNFWOYKCAFNJU-UHFFFAOYSA-N
MW284.26 g/mol
LogP3.89
Rot. Bonds2

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

2-(thiophen-2-ylmethyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 82337921) has the molecular formula C12H7F3N2OS and a molecular weight of 284.26 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(thiophen-2-ylmethyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID82337921
Molecular FormulaC12H7F3N2OS
Molecular Weight284.26 g/mol
Exact Mass284.02
IUPAC Name2-(thiophen-2-ylmethyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cnc2oc(Cc3cccs3)nc2c1
InChIInChI=1S/C12H7F3N2OS/c13-12(14,15)7-4-9-11(16-6-7)18-10(17-9)5-8-2-1-3-19-8/h1-4,6H,5H2
InChIKeySCNFWOYKCAFNJU-UHFFFAOYSA-N
XLogP3.89
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337922
2-(thiophen-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyrimidine
CID 13317022
5-bromo-2-(thiophen-2-ylmethyl)-1,3-benzoxazol-7-amine
CID 104728815
2-chloro-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridine
CID 102715246
5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 16768121
[2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]methanamine
CID 115087573
N-methyl-2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105134087
2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 105088699
2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole
CID 131065798
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 4188468
6,7-dimethoxy-2-(thiophen-2-ylmethyl)-3,1-benzoxazin-4-one
CID 17390898
2-(6-bromo-3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 126574537

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-(thiophen-2-ylmethyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (CID 82337921) is 2-(thiophen-2-ylmethyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(thiophen-2-ylmethyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-(thiophen-2-ylmethyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is FC(F)(F)c1cnc2oc(Cc3cccs3)nc2c1.
What is the InChIKey of 2-(thiophen-2-ylmethyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is SCNFWOYKCAFNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2OS/c13-12(14,15)7-4-9-11(16-6-7)18-10(17-9)5-8-2-1-3-19-8/h1-4,6H,5H2.
What are the key properties of 2-(thiophen-2-ylmethyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
2-(thiophen-2-ylmethyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 284.26 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 82337921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).