1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one

C13H8F3N3O2S — CID 2467031

IUPAC1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C13H8F3N3O2S/c14-13(15,16)8-3-4-11(20)19(6-8)7-10-17-18-12(21-10)9-2-1-5-22-9/h1-6H,7H2
InChIKeyOLXJFJJLNDBDPK-UHFFFAOYSA-N
MW327.29 g/mol
LogP3.03
Rot. Bonds3

About 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one

1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 2467031) has the molecular formula C13H8F3N3O2S and a molecular weight of 327.29 g/mol. Its IUPAC name is 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID2467031
Molecular FormulaC13H8F3N3O2S
Molecular Weight327.29 g/mol
Exact Mass327.03
IUPAC Name1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C13H8F3N3O2S/c14-13(15,16)8-3-4-11(20)19(6-8)7-10-17-18-12(21-10)9-2-1-5-22-9/h1-6H,7H2
InChIKeyOLXJFJJLNDBDPK-UHFFFAOYSA-N
XLogP3.03
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (CID 2467031) is 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1Cc1nnc(-c2cccs2)o1.
What is the InChIKey of 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is OLXJFJJLNDBDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O2S/c14-13(15,16)8-3-4-11(20)19(6-8)7-10-17-18-12(21-10)9-2-1-5-22-9/h1-6H,7H2.
What are the key properties of 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 327.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 2467031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).