1-(2-methyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone

C10H11N3O2 — CID 56834974

IUPAC1-(2-methyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone
SMILESCC(=O)N1N=C(c2cccnc2)OC1C
InChIInChI=1S/C10H11N3O2/c1-7(14)13-8(2)15-10(12-13)9-4-3-5-11-6-9/h3-6,8H,1-2H3
InChIKeyCXYLHKYADOJKRR-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.97
Rot. Bonds1

About 1-(2-methyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone

1-(2-methyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone (PubChem CID 56834974) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-(2-methyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone
PubChem CID56834974
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1-(2-methyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone
SMILESCC(=O)N1N=C(c2cccnc2)OC1C
InChIInChI=1S/C10H11N3O2/c1-7(14)13-8(2)15-10(12-13)9-4-3-5-11-6-9/h3-6,8H,1-2H3
InChIKeyCXYLHKYADOJKRR-UHFFFAOYSA-N
XLogP0.97
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-(2-methyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone (CID 56834974) is 1-(2-methyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-(2-methyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone is CC(=O)N1N=C(c2cccnc2)OC1C.
What is the InChIKey of 1-(2-methyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone?
The InChIKey is CXYLHKYADOJKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7(14)13-8(2)15-10(12-13)9-4-3-5-11-6-9/h3-6,8H,1-2H3.
What are the key properties of 1-(2-methyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone?
1-(2-methyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone has a molecular weight of 205.22 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 56834974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).