4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole

C14H8ClF3N2OS2 — CID 112776135

IUPAC4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole
SMILESFC(F)(F)c1cnc(SCc2coc(-c3cccs3)n2)c(Cl)c1
InChIInChI=1S/C14H8ClF3N2OS2/c15-10-4-8(14(16,17)18)5-19-13(10)23-7-9-6-21-12(20-9)11-2-1-3-22-11/h1-6H,7H2
InChIKeyUVCGFYGUHPAZGA-UHFFFAOYSA-N
MW376.81 g/mol
LogP5.76
Rot. Bonds4

About 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole

4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole (PubChem CID 112776135) has the molecular formula C14H8ClF3N2OS2 and a molecular weight of 376.81 g/mol. Its IUPAC name is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole
PubChem CID112776135
Molecular FormulaC14H8ClF3N2OS2
Molecular Weight376.81 g/mol
Exact Mass375.97
IUPAC Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole
SMILESFC(F)(F)c1cnc(SCc2coc(-c3cccs3)n2)c(Cl)c1
InChIInChI=1S/C14H8ClF3N2OS2/c15-10-4-8(14(16,17)18)5-19-13(10)23-7-9-6-21-12(20-9)11-2-1-3-22-11/h1-6H,7H2
InChIKeyUVCGFYGUHPAZGA-UHFFFAOYSA-N
XLogP5.76
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.81
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole (CID 112776135) is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole is FC(F)(F)c1cnc(SCc2coc(-c3cccs3)n2)c(Cl)c1.
What is the InChIKey of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is UVCGFYGUHPAZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2OS2/c15-10-4-8(14(16,17)18)5-19-13(10)23-7-9-6-21-12(20-9)11-2-1-3-22-11/h1-6H,7H2.
What are the key properties of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole?
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 376.81 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 112776135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).