N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide

C21H22N4O3S — CID 71794616

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(-c2nc(-c3ccsc3)no2)c1=O)NCCC1=CCCCC1
InChIInChI=1S/C21H22N4O3S/c26-18(22-10-8-15-5-2-1-3-6-15)13-25-11-4-7-17(21(25)27)20-23-19(24-28-20)16-9-12-29-14-16/h4-5,7,9,11-12,14H,1-3,6,8,10,13H2,(H,22,26)
InChIKeyJSBRAPPUKLIUGV-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.63
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide (PubChem CID 71794616) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
PubChem CID71794616
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(-c2nc(-c3ccsc3)no2)c1=O)NCCC1=CCCCC1
InChIInChI=1S/C21H22N4O3S/c26-18(22-10-8-15-5-2-1-3-6-15)13-25-11-4-7-17(21(25)27)20-23-19(24-28-20)16-9-12-29-14-16/h4-5,7,9,11-12,14H,1-3,6,8,10,13H2,(H,22,26)
InChIKeyJSBRAPPUKLIUGV-UHFFFAOYSA-N
XLogP3.63
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
CID 53164177
N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 46628227
2-[3-(4-chlorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 22334767
N-[2-(cyclohexen-1-yl)ethyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 50828875
1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyridin-2-one
CID 71794628
N-[2-(cyclohexen-1-yl)ethyl]-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 23826961
N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762171
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25238154
2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 51695550
N-[2-(cyclohexen-1-yl)ethyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135844
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 848361
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53008115

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide (CID 71794616) is N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide is O=C(Cn1cccc(-c2nc(-c3ccsc3)no2)c1=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide?
The InChIKey is JSBRAPPUKLIUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c26-18(22-10-8-15-5-2-1-3-6-15)13-25-11-4-7-17(21(25)27)20-23-19(24-28-20)16-9-12-29-14-16/h4-5,7,9,11-12,14H,1-3,6,8,10,13H2,(H,22,26).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide has a molecular weight of 410.50 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide is sourced from PubChem (CID 71794616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).