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

C14H19N3O3S — CID 9144032

IUPACethyl N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]carbamate
SMILESCCOC(=O)NCCCCCc1nc(-c2cccs2)no1
InChIInChI=1S/C14H19N3O3S/c1-2-19-14(18)15-9-5-3-4-8-12-16-13(17-20-12)11-7-6-10-21-11/h6-7,10H,2-5,8-9H2,1H3,(H,15,18)
InChIKeyYFLXVIQINITNAZ-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.26
Rot. Bonds8

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

ethyl N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]carbamate (PubChem CID 9144032) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is ethyl N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]carbamate
PubChem CID9144032
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Nameethyl N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]carbamate
SMILESCCOC(=O)NCCCCCc1nc(-c2cccs2)no1
InChIInChI=1S/C14H19N3O3S/c1-2-19-14(18)15-9-5-3-4-8-12-16-13(17-20-12)11-7-6-10-21-11/h6-7,10H,2-5,8-9H2,1H3,(H,15,18)
InChIKeyYFLXVIQINITNAZ-UHFFFAOYSA-N
XLogP3.26
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.26
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-(4-methylphenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide
CID 9144259
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
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
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
3-methyl-4-nitro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide
CID 9144080
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323159
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

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]carbamate?
The IUPAC name of ethyl N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]carbamate (CID 9144032) is ethyl N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]carbamate.
What is the SMILES notation for ethyl N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]carbamate?
The canonical SMILES for ethyl N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]carbamate is CCOC(=O)NCCCCCc1nc(-c2cccs2)no1.
What is the InChIKey of ethyl N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]carbamate?
The InChIKey is YFLXVIQINITNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-2-19-14(18)15-9-5-3-4-8-12-16-13(17-20-12)11-7-6-10-21-11/h6-7,10H,2-5,8-9H2,1H3,(H,15,18).
What are the key properties of ethyl N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]carbamate?
ethyl N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]carbamate has a molecular weight of 309.39 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]carbamate is sourced from PubChem (CID 9144032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).