N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylsulfanylacetamide

C11H11N3O2S — CID 695358

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylsulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccccn2)no1
InChIInChI=1S/C11H11N3O2S/c1-8-6-9(14-16-8)13-10(15)7-17-11-4-2-3-5-12-11/h2-6H,7H2,1H3,(H,13,14,15)
InChIKeyABJUUYWRQMFHCC-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.11
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylsulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 695358) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID695358
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylsulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccccn2)no1
InChIInChI=1S/C11H11N3O2S/c1-8-6-9(14-16-8)13-10(15)7-17-11-4-2-3-5-12-11/h2-6H,7H2,1H3,(H,13,14,15)
InChIKeyABJUUYWRQMFHCC-UHFFFAOYSA-N
XLogP2.11
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2097460
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylpropanamide
CID 2801231
2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 660561
N-[4-(acetylamino)-1,2,5-oxadiazol-3-yl]-2-(pyridin-2-ylthio)acetamide
CID 715902
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide
CID 3690440
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 42894866
N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-sulfonamide
CID 49797999
3-(5-Methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2732257
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylsulfonylpropanamide
CID 45825863
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylbutanamide
CID 24855652
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[6-(trifluoromethyl)pyridin-3-yl]sulfonylpropanamide
CID 24855942
2-methyl-N-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
CID 68392002

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylsulfanylacetamide (CID 695358) is N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylsulfanylacetamide is Cc1cc(NC(=O)CSc2ccccn2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is ABJUUYWRQMFHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-8-6-9(14-16-8)13-10(15)7-17-11-4-2-3-5-12-11/h2-6H,7H2,1H3,(H,13,14,15).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylsulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 249.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 695358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).