5-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole

C14H12F3N5O2S — CID 72887748

IUPAC5-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCc1cc(C(F)(F)F)n(-c2nc(-c3nc(C4CCOC4)no3)cs2)n1
InChIInChI=1S/C14H12F3N5O2S/c1-7-4-10(14(15,16)17)22(20-7)13-18-9(6-25-13)12-19-11(21-24-12)8-2-3-23-5-8/h4,6,8H,2-3,5H2,1H3
InChIKeyWOLLOQAUEFCEOZ-UHFFFAOYSA-N
MW371.34 g/mol
LogP3.21
Rot. Bonds3

About 5-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole

5-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 72887748) has the molecular formula C14H12F3N5O2S and a molecular weight of 371.34 g/mol. Its IUPAC name is 5-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID72887748
Molecular FormulaC14H12F3N5O2S
Molecular Weight371.34 g/mol
Exact Mass371.07
IUPAC Name5-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCc1cc(C(F)(F)F)n(-c2nc(-c3nc(C4CCOC4)no3)cs2)n1
InChIInChI=1S/C14H12F3N5O2S/c1-7-4-10(14(15,16)17)22(20-7)13-18-9(6-25-13)12-19-11(21-24-12)8-2-3-23-5-8/h4,6,8H,2-3,5H2,1H3
InChIKeyWOLLOQAUEFCEOZ-UHFFFAOYSA-N
XLogP3.21
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 72887748) is 5-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole is Cc1cc(C(F)(F)F)n(-c2nc(-c3nc(C4CCOC4)no3)cs2)n1.
What is the InChIKey of 5-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is WOLLOQAUEFCEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O2S/c1-7-4-10(14(15,16)17)22(20-7)13-18-9(6-25-13)12-19-11(21-24-12)8-2-3-23-5-8/h4,6,8H,2-3,5H2,1H3.
What are the key properties of 5-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 371.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72887748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).