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

C13H8F3N3O2S — CID 139328695

IUPAC1,3-thiazol-5-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESOC(c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cncs1
InChIInChI=1S/C13H8F3N3O2S/c14-13(15,16)12-18-11(19-21-12)8-3-1-7(2-4-8)10(20)9-5-17-6-22-9/h1-6,10,20H
InChIKeyZAJFRWKYECDILP-UHFFFAOYSA-N
MW327.29 g/mol
LogP3.29
Rot. Bonds3

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

1,3-thiazol-5-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol (PubChem CID 139328695) has the molecular formula C13H8F3N3O2S and a molecular weight of 327.29 g/mol. Its IUPAC name is 1,3-thiazol-5-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name1,3-thiazol-5-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
PubChem CID139328695
Molecular FormulaC13H8F3N3O2S
Molecular Weight327.29 g/mol
Exact Mass327.03
IUPAC Name1,3-thiazol-5-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESOC(c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cncs1
InChIInChI=1S/C13H8F3N3O2S/c14-13(15,16)12-18-11(19-21-12)8-3-1-7(2-4-8)10(20)9-5-17-6-22-9/h1-6,10,20H
InChIKeyZAJFRWKYECDILP-UHFFFAOYSA-N
XLogP3.29
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The IUPAC name of 1,3-thiazol-5-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol (CID 139328695) is 1,3-thiazol-5-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol.
What is the SMILES notation for 1,3-thiazol-5-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The canonical SMILES for 1,3-thiazol-5-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol is OC(c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cncs1.
What is the InChIKey of 1,3-thiazol-5-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The InChIKey is ZAJFRWKYECDILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O2S/c14-13(15,16)12-18-11(19-21-12)8-3-1-7(2-4-8)10(20)9-5-17-6-22-9/h1-6,10,20H.
What are the key properties of 1,3-thiazol-5-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
1,3-thiazol-5-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol has a molecular weight of 327.29 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol is sourced from PubChem (CID 139328695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).