N-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide

C11H16N4O2 — CID 102790751

IUPACN-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CC1)c1noc(C2CCCCN2)n1
InChIInChI=1S/C11H16N4O2/c16-10(13-7-4-5-7)9-14-11(17-15-9)8-3-1-2-6-12-8/h7-8,12H,1-6H2,(H,13,16)
InChIKeyOYKCLWWBGWPVRU-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.78
Rot. Bonds3

About N-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide

N-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790751) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790751
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CC1)c1noc(C2CCCCN2)n1
InChIInChI=1S/C11H16N4O2/c16-10(13-7-4-5-7)9-14-11(17-15-9)8-3-1-2-6-12-8/h7-8,12H,1-6H2,(H,13,16)
InChIKeyOYKCLWWBGWPVRU-UHFFFAOYSA-N
XLogP0.78
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970760
N-(oxan-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970936
N-(2-methylcyclohexyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970787
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-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775
N-(1-cyclohexylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970872
5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790965
N-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742553
N-(2-methylsulfanylcyclopentyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971202
N-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970833
1-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 102742347

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 102790751) is N-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide is O=C(NC1CC1)c1noc(C2CCCCN2)n1.
What is the InChIKey of N-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is OYKCLWWBGWPVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c16-10(13-7-4-5-7)9-14-11(17-15-9)8-3-1-2-6-12-8/h7-8,12H,1-6H2,(H,13,16).
What are the key properties of N-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).