2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole

C8H3ClF3N3OS — CID 106923333

IUPAC2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole
SMILESFC(F)(F)c1nc(Cl)cc(Sc2ncco2)n1
InChIInChI=1S/C8H3ClF3N3OS/c9-4-3-5(17-7-13-1-2-16-7)15-6(14-4)8(10,11)12/h1-3H
InChIKeyFHWTZMTWUPBIQB-UHFFFAOYSA-N
MW281.65 g/mol
LogP3.29
Rot. Bonds2

About 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole

2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole (PubChem CID 106923333) has the molecular formula C8H3ClF3N3OS and a molecular weight of 281.65 g/mol. Its IUPAC name is 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole.

Molecular Properties

Compound Name2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole
PubChem CID106923333
Molecular FormulaC8H3ClF3N3OS
Molecular Weight281.65 g/mol
Exact Mass280.96
IUPAC Name2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole
SMILESFC(F)(F)c1nc(Cl)cc(Sc2ncco2)n1
InChIInChI=1S/C8H3ClF3N3OS/c9-4-3-5(17-7-13-1-2-16-7)15-6(14-4)8(10,11)12/h1-3H
InChIKeyFHWTZMTWUPBIQB-UHFFFAOYSA-N
XLogP3.29
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.65
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-Fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole
CID 106923340
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole
CID 106923407
2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole
CID 106923411
N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928238
6-(1,3-Oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928260
6-(1,3-oxazol-2-ylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928261
5-Fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928320
N-ethyl-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928386
[6-(1,3-Oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106928770
2-(4,6-Dichloropyrimidin-2-yl)sulfanyl-1,3-oxazole
CID 172684469
2-(2-Chloropyrimidin-4-yl)sulfanyl-1,3-oxazole
CID 106898491
2-(6-Chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-1,3-oxazole
CID 106898500

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole?
The IUPAC name of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole (CID 106923333) is 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole.
What is the SMILES notation for 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole?
The canonical SMILES for 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole is FC(F)(F)c1nc(Cl)cc(Sc2ncco2)n1.
What is the InChIKey of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole?
The InChIKey is FHWTZMTWUPBIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF3N3OS/c9-4-3-5(17-7-13-1-2-16-7)15-6(14-4)8(10,11)12/h1-3H.
What are the key properties of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole?
2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole has a molecular weight of 281.65 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole is sourced from PubChem (CID 106923333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).