5-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazole

C13H7F3N2OS — CID 2742520

IUPAC5-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazole
SMILESFC(F)(F)c1ccc(-c2csc(-c3ccno3)n2)cc1
InChIInChI=1S/C13H7F3N2OS/c14-13(15,16)9-3-1-8(2-4-9)10-7-20-12(18-10)11-5-6-17-19-11/h1-7H
InChIKeySERSMSXVGPKIQE-UHFFFAOYSA-N
MW296.27 g/mol
LogP4.48
Rot. Bonds2

About 5-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazole

5-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazole (PubChem CID 2742520) has the molecular formula C13H7F3N2OS and a molecular weight of 296.27 g/mol. Its IUPAC name is 5-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazole
PubChem CID2742520
Molecular FormulaC13H7F3N2OS
Molecular Weight296.27 g/mol
Exact Mass296.02
IUPAC Name5-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazole
SMILESFC(F)(F)c1ccc(-c2csc(-c3ccno3)n2)cc1
InChIInChI=1S/C13H7F3N2OS/c14-13(15,16)9-3-1-8(2-4-9)10-7-20-12(18-10)11-5-6-17-19-11/h1-7H
InChIKeySERSMSXVGPKIQE-UHFFFAOYSA-N
XLogP4.48
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazole?
The IUPAC name of 5-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazole (CID 2742520) is 5-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazole?
The canonical SMILES for 5-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazole is FC(F)(F)c1ccc(-c2csc(-c3ccno3)n2)cc1.
What is the InChIKey of 5-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazole?
The InChIKey is SERSMSXVGPKIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2OS/c14-13(15,16)9-3-1-8(2-4-9)10-7-20-12(18-10)11-5-6-17-19-11/h1-7H.
What are the key properties of 5-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazole?
5-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazole has a molecular weight of 296.27 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 2742520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).