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

C13H20N4O2S — CID 104971202

IUPACN-(2-methylsulfanylcyclopentyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCSC1CCCC1NC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C13H20N4O2S/c1-20-10-6-2-4-8(10)15-12(18)11-16-13(19-17-11)9-5-3-7-14-9/h8-10,14H,2-7H2,1H3,(H,15,18)
InChIKeyNVMBLNLZVGSTBC-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.51
Rot. Bonds4

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

N-(2-methylsulfanylcyclopentyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 104971202) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(2-methylsulfanylcyclopentyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylcyclopentyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID104971202
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC NameN-(2-methylsulfanylcyclopentyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCSC1CCCC1NC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C13H20N4O2S/c1-20-10-6-2-4-8(10)15-12(18)11-16-13(19-17-11)9-5-3-7-14-9/h8-10,14H,2-7H2,1H3,(H,15,18)
InChIKeyNVMBLNLZVGSTBC-UHFFFAOYSA-N
XLogP1.51
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylcyclohexyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970787
N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970760
N-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102790751
N-(oxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970936
N-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742553
N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775
N-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970833
(2S,3R)-3-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 102742599
N-(1-methyl-6-oxopiperidin-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971153
N-(2,2-dimethyloxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742495
N-(1-cyclohexylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970872
methyl 2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate
CID 104970945

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylcyclopentyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(2-methylsulfanylcyclopentyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 104971202) is N-(2-methylsulfanylcyclopentyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylcyclopentyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(2-methylsulfanylcyclopentyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is CSC1CCCC1NC(=O)c1noc(C2CCCN2)n1.
What is the InChIKey of N-(2-methylsulfanylcyclopentyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is NVMBLNLZVGSTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-20-10-6-2-4-8(10)15-12(18)11-16-13(19-17-11)9-5-3-7-14-9/h8-10,14H,2-7H2,1H3,(H,15,18).
What are the key properties of N-(2-methylsulfanylcyclopentyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-(2-methylsulfanylcyclopentyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylcyclopentyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 104971202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).