2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide

C18H22N6O2 — CID 91787339

IUPAC2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESCCc1c(C)nn(CC(=O)NC(C)c2nc(-c3ccccn3)no2)c1C
InChIInChI=1S/C18H22N6O2/c1-5-14-11(2)22-24(13(14)4)10-16(25)20-12(3)18-21-17(23-26-18)15-8-6-7-9-19-15/h6-9,12H,5,10H2,1-4H3,(H,20,25)
InChIKeyRLIZETLYNGAWET-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.38
Rot. Bonds6

About 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (PubChem CID 91787339) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
PubChem CID91787339
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESCCc1c(C)nn(CC(=O)NC(C)c2nc(-c3ccccn3)no2)c1C
InChIInChI=1S/C18H22N6O2/c1-5-14-11(2)22-24(13(14)4)10-16(25)20-12(3)18-21-17(23-26-18)15-8-6-7-9-19-15/h6-9,12H,5,10H2,1-4H3,(H,20,25)
InChIKeyRLIZETLYNGAWET-UHFFFAOYSA-N
XLogP2.38
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-methyltetrazol-1-yl)-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 118788261
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CID 93072769
N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 118796031
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42569131
1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 118795980
2-(dimethylamino)-4-methyl-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-5-carboxamide
CID 97192441
2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 125443326
3-pyridin-2-yl-5-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole
CID 97212017
8-fluoro-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-2-carboxamide
CID 97133752
3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345401
5-[(1R)-1-phenylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole
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2-fluoro-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfamoylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (CID 91787339) is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is CCc1c(C)nn(CC(=O)NC(C)c2nc(-c3ccccn3)no2)c1C.
What is the InChIKey of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The InChIKey is RLIZETLYNGAWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-5-14-11(2)22-24(13(14)4)10-16(25)20-12(3)18-21-17(23-26-18)15-8-6-7-9-19-15/h6-9,12H,5,10H2,1-4H3,(H,20,25).
What are the key properties of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 91787339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).