1-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one

C13H12N4O2S — CID 11840792

IUPAC1-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one
SMILESCC(=O)CSc1nnc(-c2c(C)nc3ccccn23)o1
InChIInChI=1S/C13H12N4O2S/c1-8(18)7-20-13-16-15-12(19-13)11-9(2)14-10-5-3-4-6-17(10)11/h3-6H,7H2,1-2H3
InChIKeySDKUTEHSTGUMJB-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.37
Rot. Bonds4

About 1-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one

1-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one (PubChem CID 11840792) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 1-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one.

Molecular Properties

Compound Name1-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one
PubChem CID11840792
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name1-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one
SMILESCC(=O)CSc1nnc(-c2c(C)nc3ccccn23)o1
InChIInChI=1S/C13H12N4O2S/c1-8(18)7-20-13-16-15-12(19-13)11-9(2)14-10-5-3-4-6-17(10)11/h3-6H,7H2,1-2H3
InChIKeySDKUTEHSTGUMJB-UHFFFAOYSA-N
XLogP2.37
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one with MolForge

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Related Compounds

2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-ethylsulfanyl-1,3,4-oxadiazole
CID 163297350
2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole
CID 163297395
methyl 4-[[5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate
CID 163297322
1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one
CID 975383
2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 163297290
2-[(4-bromophenyl)methylsulfanyl]-5-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazole
CID 163297391
6-(2,2-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 100828039
1-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one
CID 1084434
[3-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrazol-1-yl]-phenylmethanone
CID 134101749
2-(2,4-dimethyl-1,3-thiazol-5-yl)-5-(imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 71852391
2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 163297321
1-(2-chlorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 7816154

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one?
The IUPAC name of 1-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one (CID 11840792) is 1-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one.
What is the SMILES notation for 1-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one?
The canonical SMILES for 1-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one is CC(=O)CSc1nnc(-c2c(C)nc3ccccn23)o1.
What is the InChIKey of 1-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one?
The InChIKey is SDKUTEHSTGUMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-8(18)7-20-13-16-15-12(19-13)11-9(2)14-10-5-3-4-6-17(10)11/h3-6H,7H2,1-2H3.
What are the key properties of 1-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one?
1-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one has a molecular weight of 288.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one is sourced from PubChem (CID 11840792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).