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

C12H9N3O2S — CID 53156533

IUPAC1-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one
SMILESCn1cc(-c2noc(-c3cccs3)n2)ccc1=O
InChIInChI=1S/C12H9N3O2S/c1-15-7-8(4-5-10(15)16)11-13-12(17-14-11)9-3-2-6-18-9/h2-7H,1H3
InChIKeyLSNGHZJJZMKWSZ-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.16
Rot. Bonds2

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

1-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one (PubChem CID 53156533) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 1-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one
PubChem CID53156533
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Name1-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one
SMILESCn1cc(-c2noc(-c3cccs3)n2)ccc1=O
InChIInChI=1S/C12H9N3O2S/c1-15-7-8(4-5-10(15)16)11-13-12(17-14-11)9-3-2-6-18-9/h2-7H,1H3
InChIKeyLSNGHZJJZMKWSZ-UHFFFAOYSA-N
XLogP2.16
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one?
The IUPAC name of 1-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one (CID 53156533) is 1-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one.
What is the SMILES notation for 1-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one?
The canonical SMILES for 1-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one is Cn1cc(-c2noc(-c3cccs3)n2)ccc1=O.
What is the InChIKey of 1-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one?
The InChIKey is LSNGHZJJZMKWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c1-15-7-8(4-5-10(15)16)11-13-12(17-14-11)9-3-2-6-18-9/h2-7H,1H3.
What are the key properties of 1-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one?
1-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one has a molecular weight of 259.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one is sourced from PubChem (CID 53156533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).