2-(4-methylphenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide

C20H23N3O2S — CID 9144259

IUPAC2-(4-methylphenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide
SMILESCc1ccc(CC(=O)NCCCCCc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C20H23N3O2S/c1-15-8-10-16(11-9-15)14-18(24)21-12-4-2-3-7-19-22-20(23-25-19)17-6-5-13-26-17/h5-6,8-11,13H,2-4,7,12,14H2,1H3,(H,21,24)
InChIKeyRKLNWUYLGLVYQW-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.18
Rot. Bonds9

About 2-(4-methylphenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide

2-(4-methylphenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide (PubChem CID 9144259) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide
PubChem CID9144259
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-(4-methylphenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide
SMILESCc1ccc(CC(=O)NCCCCCc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C20H23N3O2S/c1-15-8-10-16(11-9-15)14-18(24)21-12-4-2-3-7-19-22-20(23-25-19)17-6-5-13-26-17/h5-6,8-11,13H,2-4,7,12,14H2,1H3,(H,21,24)
InChIKeyRKLNWUYLGLVYQW-UHFFFAOYSA-N
XLogP4.18
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.18
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

ethyl N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]carbamate
CID 9144032
2-(2-fluorophenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide
CID 24504993
N-[2-oxo-2-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentylamino]ethyl]thiophene-2-carboxamide
CID 24550889
4-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 51064599
4-methyl-2-thiophen-2-yl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-1,3-thiazole-5-carboxamide
CID 24517351
2-fluoro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide
CID 9144215
3-methyl-4-nitro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide
CID 9144080
2-(4-methoxyphenyl)sulfanyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide
CID 9144239
2-methyl-4-phenyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-1,3-thiazole-5-carboxamide
CID 24505031
N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]quinoline-2-carboxamide
CID 9144052
N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 24625234
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]propanamide
CID 24505024

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide (CID 9144259) is 2-(4-methylphenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide is Cc1ccc(CC(=O)NCCCCCc2nc(-c3cccs3)no2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide?
The InChIKey is RKLNWUYLGLVYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-15-8-10-16(11-9-15)14-18(24)21-12-4-2-3-7-19-22-20(23-25-19)17-6-5-13-26-17/h5-6,8-11,13H,2-4,7,12,14H2,1H3,(H,21,24).
What are the key properties of 2-(4-methylphenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide?
2-(4-methylphenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide has a molecular weight of 369.49 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide is sourced from PubChem (CID 9144259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).