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

C10H11N3O2 — CID 104523618

IUPAC3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
SMILESCc1nnc(Cn2cccc(C)c2=O)o1
InChIInChI=1S/C10H11N3O2/c1-7-4-3-5-13(10(7)14)6-9-12-11-8(2)15-9/h3-5H,6H2,1-2H3
InChIKeyBCDNVPPLBYHTML-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.90
Rot. Bonds2

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

3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one (PubChem CID 104523618) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
PubChem CID104523618
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
SMILESCc1nnc(Cn2cccc(C)c2=O)o1
InChIInChI=1S/C10H11N3O2/c1-7-4-3-5-13(10(7)14)6-9-12-11-8(2)15-9/h3-5H,6H2,1-2H3
InChIKeyBCDNVPPLBYHTML-UHFFFAOYSA-N
XLogP0.90
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
The IUPAC name of 3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one (CID 104523618) is 3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one.
What is the SMILES notation for 3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
The canonical SMILES for 3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one is Cc1nnc(Cn2cccc(C)c2=O)o1.
What is the InChIKey of 3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
The InChIKey is BCDNVPPLBYHTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7-4-3-5-13(10(7)14)6-9-12-11-8(2)15-9/h3-5H,6H2,1-2H3.
What are the key properties of 3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one has a molecular weight of 205.22 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 104523618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).