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

C13H20N4O2 — CID 102742553

IUPACN-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCC(NC(=O)c1noc(C2CCCN2)n1)C1CCC1
InChIInChI=1S/C13H20N4O2/c1-8(9-4-2-5-9)15-12(18)11-16-13(19-17-11)10-6-3-7-14-10/h8-10,14H,2-7H2,1H3,(H,15,18)
InChIKeyLLDSYPWPBDKHBK-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.41
Rot. Bonds4

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

N-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102742553) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102742553
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCC(NC(=O)c1noc(C2CCCN2)n1)C1CCC1
InChIInChI=1S/C13H20N4O2/c1-8(9-4-2-5-9)15-12(18)11-16-13(19-17-11)10-6-3-7-14-10/h8-10,14H,2-7H2,1H3,(H,15,18)
InChIKeyLLDSYPWPBDKHBK-UHFFFAOYSA-N
XLogP1.41
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 102742553) is N-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is CC(NC(=O)c1noc(C2CCCN2)n1)C1CCC1.
What is the InChIKey of N-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is LLDSYPWPBDKHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8(9-4-2-5-9)15-12(18)11-16-13(19-17-11)10-6-3-7-14-10/h8-10,14H,2-7H2,1H3,(H,15,18).
What are the key properties of N-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102742553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).