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

C14H24N4O2 — CID 104971182

IUPAC5-pyrrolidin-2-yl-N-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCC(CNC(=O)c1noc(C2CCCN2)n1)C(C)(C)C
InChIInChI=1S/C14H24N4O2/c1-9(14(2,3)4)8-16-12(19)11-17-13(20-18-11)10-6-5-7-15-10/h9-10,15H,5-8H2,1-4H3,(H,16,19)
InChIKeyLJBZYWJNZKVYLZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.91
Rot. Bonds4

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

5-pyrrolidin-2-yl-N-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 104971182) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-pyrrolidin-2-yl-N-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-pyrrolidin-2-yl-N-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID104971182
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name5-pyrrolidin-2-yl-N-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCC(CNC(=O)c1noc(C2CCCN2)n1)C(C)(C)C
InChIInChI=1S/C14H24N4O2/c1-9(14(2,3)4)8-16-12(19)11-17-13(20-18-11)10-6-5-7-15-10/h9-10,15H,5-8H2,1-4H3,(H,16,19)
InChIKeyLJBZYWJNZKVYLZ-UHFFFAOYSA-N
XLogP1.91
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate
CID 107222801
N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775
N-(2-propan-2-yloxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742533
3-hydroxy-3-methyl-4-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 102742366
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 106255235
N-(3-methylsulfinylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971125
N-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970833
N-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742553
N-[2-(methanesulfonamido)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970863
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
1-[[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 102742459

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-yl-N-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-pyrrolidin-2-yl-N-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole-3-carboxamide (CID 104971182) is 5-pyrrolidin-2-yl-N-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-pyrrolidin-2-yl-N-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-pyrrolidin-2-yl-N-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole-3-carboxamide is CC(CNC(=O)c1noc(C2CCCN2)n1)C(C)(C)C.
What is the InChIKey of 5-pyrrolidin-2-yl-N-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is LJBZYWJNZKVYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9(14(2,3)4)8-16-12(19)11-17-13(20-18-11)10-6-5-7-15-10/h9-10,15H,5-8H2,1-4H3,(H,16,19).
What are the key properties of 5-pyrrolidin-2-yl-N-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole-3-carboxamide?
5-pyrrolidin-2-yl-N-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-yl-N-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 104971182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).