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

C19H18N4O2S — CID 9144170

IUPAC3-cyano-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCCCCc2nc(-c3cccs3)no2)c1
InChIInChI=1S/C19H18N4O2S/c20-13-14-6-4-7-15(12-14)19(24)21-10-3-1-2-9-17-22-18(23-25-17)16-8-5-11-26-16/h4-8,11-12H,1-3,9-10H2,(H,21,24)
InChIKeyUIOBADHPDJPGLV-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.81
Rot. Bonds8

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

3-cyano-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide (PubChem CID 9144170) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 3-cyano-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide
PubChem CID9144170
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name3-cyano-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCCCCc2nc(-c3cccs3)no2)c1
InChIInChI=1S/C19H18N4O2S/c20-13-14-6-4-7-15(12-14)19(24)21-10-3-1-2-9-17-22-18(23-25-17)16-8-5-11-26-16/h4-8,11-12H,1-3,9-10H2,(H,21,24)
InChIKeyUIOBADHPDJPGLV-UHFFFAOYSA-N
XLogP3.81
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide
CID 9144215
2-(2-fluorophenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide
CID 24504993
3-methyl-4-nitro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide
CID 9144080
2-(4-methylphenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide
CID 9144259
N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]quinoline-2-carboxamide
CID 9144052
ethyl N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]carbamate
CID 9144032
4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 51096359
N-[2-oxo-2-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentylamino]ethyl]thiophene-2-carboxamide
CID 24550889
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
N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 24625234
5-methoxy-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 24550873
2-methyl-4-phenyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-1,3-thiazole-5-carboxamide
CID 24505031

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide?
The IUPAC name of 3-cyano-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide (CID 9144170) is 3-cyano-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide.
What is the SMILES notation for 3-cyano-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide?
The canonical SMILES for 3-cyano-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide is N#Cc1cccc(C(=O)NCCCCCc2nc(-c3cccs3)no2)c1.
What is the InChIKey of 3-cyano-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide?
The InChIKey is UIOBADHPDJPGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c20-13-14-6-4-7-15(12-14)19(24)21-10-3-1-2-9-17-22-18(23-25-17)16-8-5-11-26-16/h4-8,11-12H,1-3,9-10H2,(H,21,24).
What are the key properties of 3-cyano-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide?
3-cyano-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide has a molecular weight of 366.45 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide is sourced from PubChem (CID 9144170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).