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

C9H9N3O2 — CID 116618483

IUPAC1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one
SMILESCc1nonc1Cn1ccccc1=O
InChIInChI=1S/C9H9N3O2/c1-7-8(11-14-10-7)6-12-5-3-2-4-9(12)13/h2-5H,6H2,1H3
InChIKeyXDMBSQSAAKSDCL-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.59
Rot. Bonds2

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

1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one (PubChem CID 116618483) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one
PubChem CID116618483
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one
SMILESCc1nonc1Cn1ccccc1=O
InChIInChI=1S/C9H9N3O2/c1-7-8(11-14-10-7)6-12-5-3-2-4-9(12)13/h2-5H,6H2,1H3
InChIKeyXDMBSQSAAKSDCL-UHFFFAOYSA-N
XLogP0.59
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one?
The IUPAC name of 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one (CID 116618483) is 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one.
What is the SMILES notation for 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one?
The canonical SMILES for 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one is Cc1nonc1Cn1ccccc1=O.
What is the InChIKey of 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one?
The InChIKey is XDMBSQSAAKSDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-7-8(11-14-10-7)6-12-5-3-2-4-9(12)13/h2-5H,6H2,1H3.
What are the key properties of 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one?
1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one has a molecular weight of 191.19 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one is sourced from PubChem (CID 116618483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).