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

C11H13N3O2 — CID 115698184

IUPAC1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpyridin-2-one
SMILESCCc1nnc(Cn2ccc(C)cc2=O)o1
InChIInChI=1S/C11H13N3O2/c1-3-9-12-13-10(16-9)7-14-5-4-8(2)6-11(14)15/h4-6H,3,7H2,1-2H3
InChIKeyDIRTVHOVKWYIIW-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.15
Rot. Bonds3

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

1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpyridin-2-one (PubChem CID 115698184) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpyridin-2-one
PubChem CID115698184
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpyridin-2-one
SMILESCCc1nnc(Cn2ccc(C)cc2=O)o1
InChIInChI=1S/C11H13N3O2/c1-3-9-12-13-10(16-9)7-14-5-4-8(2)6-11(14)15/h4-6H,3,7H2,1-2H3
InChIKeyDIRTVHOVKWYIIW-UHFFFAOYSA-N
XLogP1.15
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpyridin-2-one?
The IUPAC name of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpyridin-2-one (CID 115698184) is 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpyridin-2-one is CCc1nnc(Cn2ccc(C)cc2=O)o1.
What is the InChIKey of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpyridin-2-one?
The InChIKey is DIRTVHOVKWYIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-9-12-13-10(16-9)7-14-5-4-8(2)6-11(14)15/h4-6H,3,7H2,1-2H3.
What are the key properties of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpyridin-2-one?
1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpyridin-2-one has a molecular weight of 219.24 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 115698184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).