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

C16H14F3N3O2S — CID 146293263

IUPAC1-(5-methyl-2-pyridinyl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]propan-1-ol
SMILESCCC(O)(c1ccc(C)cn1)c1ccc(-c2noc(C(F)(F)F)n2)s1
InChIInChI=1S/C16H14F3N3O2S/c1-3-15(23,11-6-4-9(2)8-20-11)12-7-5-10(25-12)13-21-14(24-22-13)16(17,18)19/h4-8,23H,3H2,1-2H3
InChIKeyXAXABPCDNCKYMO-UHFFFAOYSA-N
MW369.37 g/mol
LogP4.17
Rot. Bonds4

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

1-(5-methyl-2-pyridinyl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]propan-1-ol (PubChem CID 146293263) has the molecular formula C16H14F3N3O2S and a molecular weight of 369.37 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]propan-1-ol
PubChem CID146293263
Molecular FormulaC16H14F3N3O2S
Molecular Weight369.37 g/mol
Exact Mass369.08
IUPAC Name1-(5-methyl-2-pyridinyl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]propan-1-ol
SMILESCCC(O)(c1ccc(C)cn1)c1ccc(-c2noc(C(F)(F)F)n2)s1
InChIInChI=1S/C16H14F3N3O2S/c1-3-15(23,11-6-4-9(2)8-20-11)12-7-5-10(25-12)13-21-14(24-22-13)16(17,18)19/h4-8,23H,3H2,1-2H3
InChIKeyXAXABPCDNCKYMO-UHFFFAOYSA-N
XLogP4.17
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-Methyl-3-pyridinyl)methyl]-5-[2-(5-methylthiophen-2-yl)ethyl]-1,2,4-oxadiazole
CID 126806661
3-(3-Methylpyridin-4-yl)-5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl)-1,2,4-oxadiazole
CID 25110359
2,2,2-Trifluoro-1-[5-[3-(3-methylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone
CID 68509316
1,1,1-Trifluoro-3-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]propan-2-one
CID 69130821
2,2,2-Trifluoro-1-[5-[3-[6-(trifluoromethyl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone
CID 87479523
3-(5-Pyridin-3-ylthiophen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 132258305
(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
(R)-(5-methyl-2-pyridinyl)-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methanol
CID 155220204
(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

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridinyl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]propan-1-ol?
The IUPAC name of 1-(5-methyl-2-pyridinyl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]propan-1-ol (CID 146293263) is 1-(5-methyl-2-pyridinyl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]propan-1-ol.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]propan-1-ol?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]propan-1-ol is CCC(O)(c1ccc(C)cn1)c1ccc(-c2noc(C(F)(F)F)n2)s1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]propan-1-ol?
The InChIKey is XAXABPCDNCKYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2S/c1-3-15(23,11-6-4-9(2)8-20-11)12-7-5-10(25-12)13-21-14(24-22-13)16(17,18)19/h4-8,23H,3H2,1-2H3.
What are the key properties of 1-(5-methyl-2-pyridinyl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]propan-1-ol?
1-(5-methyl-2-pyridinyl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]propan-1-ol has a molecular weight of 369.37 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]propan-1-ol is sourced from PubChem (CID 146293263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).