5-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide

C13H16N4O2S — CID 104970819

IUPAC5-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NCCc1cccs1)c1noc(C2CCCN2)n1
InChIInChI=1S/C13H16N4O2S/c18-12(15-7-5-9-3-2-8-20-9)11-16-13(19-17-11)10-4-1-6-14-10/h2-3,8,10,14H,1,4-7H2,(H,15,18)
InChIKeyPUJPNJQWDPVRNG-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.53
Rot. Bonds5

About 5-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide

5-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 104970819) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID104970819
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name5-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NCCc1cccs1)c1noc(C2CCCN2)n1
InChIInChI=1S/C13H16N4O2S/c18-12(15-7-5-9-3-2-8-20-9)11-16-13(19-17-11)10-4-1-6-14-10/h2-3,8,10,14H,1,4-7H2,(H,15,18)
InChIKeyPUJPNJQWDPVRNG-UHFFFAOYSA-N
XLogP1.53
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-pyridin-4-ylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742148
N-(2-pyridin-2-ylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971284
5-pyrrolidin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide
CID 104970929
N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775
N-[2-(1H-imidazol-2-yl)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971367
N-[2-(methanesulfonamido)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970863
N-(pyridazin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 106895984
N-(2-propan-2-yloxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742533
N-(3-pyrazol-1-ylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970911
5-pyrrolidin-2-yl-N-(thian-4-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 104971074
N-(3-butoxypropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970779
N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970760

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide (CID 104970819) is 5-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide is O=C(NCCc1cccs1)c1noc(C2CCCN2)n1.
What is the InChIKey of 5-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is PUJPNJQWDPVRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c18-12(15-7-5-9-3-2-8-20-9)11-16-13(19-17-11)10-4-1-6-14-10/h2-3,8,10,14H,1,4-7H2,(H,15,18).
What are the key properties of 5-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide?
5-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 104970819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).