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

C10H11N3O2 — CID 95179448

IUPAC1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one
SMILESCCc1nc(Cn2ccccc2=O)no1
InChIInChI=1S/C10H11N3O2/c1-2-9-11-8(12-15-9)7-13-6-4-3-5-10(13)14/h3-6H,2,7H2,1H3
InChIKeyLLAHWSDSLKVDNQ-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.84
Rot. Bonds3

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

1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one (PubChem CID 95179448) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one
PubChem CID95179448
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one
SMILESCCc1nc(Cn2ccccc2=O)no1
InChIInChI=1S/C10H11N3O2/c1-2-9-11-8(12-15-9)7-13-6-4-3-5-10(13)14/h3-6H,2,7H2,1H3
InChIKeyLLAHWSDSLKVDNQ-UHFFFAOYSA-N
XLogP0.84
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one?
The IUPAC name of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one (CID 95179448) is 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one.
What is the SMILES notation for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one?
The canonical SMILES for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one is CCc1nc(Cn2ccccc2=O)no1.
What is the InChIKey of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one?
The InChIKey is LLAHWSDSLKVDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-2-9-11-8(12-15-9)7-13-6-4-3-5-10(13)14/h3-6H,2,7H2,1H3.
What are the key properties of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one?
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one has a molecular weight of 205.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one is sourced from PubChem (CID 95179448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).