N-(5-methyl-1,2-oxazol-3-yl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide

C13H15N3O2S — CID 3690440

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide
SMILESCc1cc(NC(=O)CSCCc2ccncc2)no1
InChIInChI=1S/C13H15N3O2S/c1-10-8-12(16-18-10)15-13(17)9-19-7-4-11-2-5-14-6-3-11/h2-3,5-6,8H,4,7,9H2,1H3,(H,15,16,17)
InChIKeyWURNGZBUUBUMKH-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.29
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide (PubChem CID 3690440) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide
PubChem CID3690440
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide
SMILESCc1cc(NC(=O)CSCCc2ccncc2)no1
InChIInChI=1S/C13H15N3O2S/c1-10-8-12(16-18-10)15-13(17)9-19-7-4-11-2-5-14-6-3-11/h2-3,5-6,8H,4,7,9H2,1H3,(H,15,16,17)
InChIKeyWURNGZBUUBUMKH-UHFFFAOYSA-N
XLogP2.29
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylsulfanyl)acetamide
CID 695358
2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2097460
5-methyl-N-(pyridin-3-ylmethyl)isoxazol-3-amine
CID 2726694
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylpropanamide
CID 2801231
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 1155029
N-(5-tert-butyl-3-isoxazolyl)nicotinamide
CID 1244224
1-(5-Methyl-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)-3-pyridinyl]urea
CID 2726900
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-methyl-2-pyridinyl)acetamide
CID 40075443
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 42894866
3-(5-Methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2732257
N-(5-methylisoxazol-3-yl)-2-((6-(pyridin-3-yl)pyridazin-3-yl)thio)acetamide
CID 7222483
2-((11H-benzo[e]pyrido[3,2-b][1,4]diazepin-6-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 16823997

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide (CID 3690440) is N-(5-methyl-1,2-oxazol-3-yl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide is Cc1cc(NC(=O)CSCCc2ccncc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide?
The InChIKey is WURNGZBUUBUMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-10-8-12(16-18-10)15-13(17)9-19-7-4-11-2-5-14-6-3-11/h2-3,5-6,8H,4,7,9H2,1H3,(H,15,16,17).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide has a molecular weight of 277.35 g/mol, XLogP of 2.29, 6 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-(2-pyridin-4-ylethylsulfanyl)acetamide is sourced from PubChem (CID 3690440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).