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

C21H20N4O2S — CID 9144052

IUPACN-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]quinoline-2-carboxamide
SMILESO=C(NCCCCCc1nc(-c2cccs2)no1)c1ccc2ccccc2n1
InChIInChI=1S/C21H20N4O2S/c26-21(17-12-11-15-7-3-4-8-16(15)23-17)22-13-5-1-2-10-19-24-20(25-27-19)18-9-6-14-28-18/h3-4,6-9,11-12,14H,1-2,5,10,13H2,(H,22,26)
InChIKeyVICIEPPBMBEJJN-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.49
Rot. Bonds8

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

N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]quinoline-2-carboxamide (PubChem CID 9144052) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]quinoline-2-carboxamide
PubChem CID9144052
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]quinoline-2-carboxamide
SMILESO=C(NCCCCCc1nc(-c2cccs2)no1)c1ccc2ccccc2n1
InChIInChI=1S/C21H20N4O2S/c26-21(17-12-11-15-7-3-4-8-16(15)23-17)22-13-5-1-2-10-19-24-20(25-27-19)18-9-6-14-28-18/h3-4,6-9,11-12,14H,1-2,5,10,13H2,(H,22,26)
InChIKeyVICIEPPBMBEJJN-UHFFFAOYSA-N
XLogP4.49
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.49
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
2-(4-methylphenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide
CID 9144259
ethyl N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]carbamate
CID 9144032
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-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
3-cyano-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide
CID 9144170
2-(1,3-benzothiazol-2-ylmethoxy)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide
CID 24550878
2-methyl-4-phenyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-1,3-thiazole-5-carboxamide
CID 24505031
3-methyl-4-nitro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide
CID 9144080
N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 24625234

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]quinoline-2-carboxamide?
The IUPAC name of N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]quinoline-2-carboxamide (CID 9144052) is N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]quinoline-2-carboxamide?
The canonical SMILES for N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]quinoline-2-carboxamide is O=C(NCCCCCc1nc(-c2cccs2)no1)c1ccc2ccccc2n1.
What is the InChIKey of N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]quinoline-2-carboxamide?
The InChIKey is VICIEPPBMBEJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c26-21(17-12-11-15-7-3-4-8-16(15)23-17)22-13-5-1-2-10-19-24-20(25-27-19)18-9-6-14-28-18/h3-4,6-9,11-12,14H,1-2,5,10,13H2,(H,22,26).
What are the key properties of N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]quinoline-2-carboxamide?
N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]quinoline-2-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]quinoline-2-carboxamide is sourced from PubChem (CID 9144052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).