N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

C10H16N4O2 — CID 104970775

IUPACN-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCCCNC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C10H16N4O2/c1-2-5-12-9(15)8-13-10(16-14-8)7-4-3-6-11-7/h7,11H,2-6H2,1H3,(H,12,15)
InChIKeyBLQZJTYPUWTZAW-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.63
Rot. Bonds4

About N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 104970775) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID104970775
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCCCNC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C10H16N4O2/c1-2-5-12-9(15)8-13-10(16-14-8)7-4-3-6-11-7/h7,11H,2-6H2,1H3,(H,12,15)
InChIKeyBLQZJTYPUWTZAW-UHFFFAOYSA-N
XLogP0.63
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-butoxypropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970779
N-[2-(methanesulfonamido)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970863
N-(2-propan-2-yloxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742533
N-[2-(ethylsulfamoyl)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971124
N-(3-methylsulfinylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971125
N-[3-(methanesulfonamido)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970942
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 106255235
N-(2-pyridin-4-ylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742148
1-[[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 102742459
N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970760
5-pyrrolidin-2-yl-N-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole-3-carboxamide
CID 104971182
5-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide
CID 104970819

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 104970775) is N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is CCCNC(=O)c1noc(C2CCCN2)n1.
What is the InChIKey of N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is BLQZJTYPUWTZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-2-5-12-9(15)8-13-10(16-14-8)7-4-3-6-11-7/h7,11H,2-6H2,1H3,(H,12,15).
What are the key properties of N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 104970775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).