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

C14H18N4O2S — CID 104970929

IUPAC5-pyrrolidin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESCC(Cc1cccs1)NC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C14H18N4O2S/c1-9(8-10-4-3-7-21-10)16-13(19)12-17-14(20-18-12)11-5-2-6-15-11/h3-4,7,9,11,15H,2,5-6,8H2,1H3,(H,16,19)
InChIKeyXHHPBDNMBXZEGA-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.92
Rot. Bonds5

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

5-pyrrolidin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 104970929) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-pyrrolidin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-pyrrolidin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID104970929
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name5-pyrrolidin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESCC(Cc1cccs1)NC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C14H18N4O2S/c1-9(8-10-4-3-7-21-10)16-13(19)12-17-14(20-18-12)11-5-2-6-15-11/h3-4,7,9,11,15H,2,5-6,8H2,1H3,(H,16,19)
InChIKeyXHHPBDNMBXZEGA-UHFFFAOYSA-N
XLogP1.92
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-pyrrolidin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide
CID 104970819
N-[(1S)-1-pyridin-4-ylethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742442
N-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970833
methyl 2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate
CID 104970945
N-(1-cyclohexylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970872
(2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 61178552
(2S,3R)-3-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 102742599
5-pyrrolidin-2-yl-N-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole-3-carboxamide
CID 104971182
(2S)-4-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 107824867
N-(2-propan-2-yloxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742533
N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775
4-methoxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 102742264

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-pyrrolidin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide (CID 104970929) is 5-pyrrolidin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-pyrrolidin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-pyrrolidin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide is CC(Cc1cccs1)NC(=O)c1noc(C2CCCN2)n1.
What is the InChIKey of 5-pyrrolidin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is XHHPBDNMBXZEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9(8-10-4-3-7-21-10)16-13(19)12-17-14(20-18-12)11-5-2-6-15-11/h3-4,7,9,11,15H,2,5-6,8H2,1H3,(H,16,19).
What are the key properties of 5-pyrrolidin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide?
5-pyrrolidin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.92, 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-(1-thiophen-2-ylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 104970929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).