(R)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol

C14H10F3N3O2S — CID 155220204

IUPAC(R)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol
SMILESCc1ccc([C@@H](O)c2ccc(-c3noc(C(F)(F)F)n3)s2)nc1
InChIInChI=1S/C14H10F3N3O2S/c1-7-2-3-8(18-6-7)11(21)9-4-5-10(23-9)12-19-13(22-20-12)14(15,16)17/h2-6,11,21H,1H3/t11-/m1/s1
InChIKeySRDJGTUBJSYJIC-LLVKDONJSA-N
MW341.31 g/mol
LogP3.60
Rot. Bonds3

About (R)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol

(R)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol (PubChem CID 155220204) has the molecular formula C14H10F3N3O2S and a molecular weight of 341.31 g/mol. Its IUPAC name is (R)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name(R)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol
PubChem CID155220204
Molecular FormulaC14H10F3N3O2S
Molecular Weight341.31 g/mol
Exact Mass341.04
IUPAC Name(R)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol
SMILESCc1ccc([C@@H](O)c2ccc(-c3noc(C(F)(F)F)n3)s2)nc1
InChIInChI=1S/C14H10F3N3O2S/c1-7-2-3-8(18-6-7)11(21)9-4-5-10(23-9)12-19-13(22-20-12)14(15,16)17/h2-6,11,21H,1H3/t11-/m1/s1
InChIKeySRDJGTUBJSYJIC-LLVKDONJSA-N
XLogP3.60
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (R)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol with MolForge

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Related Compounds

2,2,2-Trifluoro-1-[5-[3-(3-methylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone
CID 68509316
Pyridin-2-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 132256742
[5-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-yl]methanol
CID 132258697
(2-Methyl-1,3-thiazol-5-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 139328649
(5-Methylpyridin-2-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 139328877
3-[5-[(5-Methylpyridin-2-yl)methyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146291114
(5-Methylpyridin-2-yl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol
CID 146291116
1-(5-Methylpyridin-2-yl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]propan-1-ol
CID 146293263
(S)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 155220210
(R)-(5-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 155220211
(S)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol
CID 155220212
(S)-(5-methylpyrazin-2-yl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol
CID 155220214

Frequently Asked Questions

What is the IUPAC name of (R)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol?
The IUPAC name of (R)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol (CID 155220204) is (R)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol.
What is the SMILES notation for (R)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol?
The canonical SMILES for (R)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol is Cc1ccc([C@@H](O)c2ccc(-c3noc(C(F)(F)F)n3)s2)nc1.
What is the InChIKey of (R)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol?
The InChIKey is SRDJGTUBJSYJIC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H10F3N3O2S/c1-7-2-3-8(18-6-7)11(21)9-4-5-10(23-9)12-19-13(22-20-12)14(15,16)17/h2-6,11,21H,1H3/t11-/m1/s1.
What are the key properties of (R)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol?
(R)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol has a molecular weight of 341.31 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol is sourced from PubChem (CID 155220204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).