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

C12H18N4O2 — CID 104970833

IUPACN-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCC(NC(=O)c1noc(C2CCCN2)n1)C1CC1
InChIInChI=1S/C12H18N4O2/c1-7(8-4-5-8)14-11(17)10-15-12(18-16-10)9-3-2-6-13-9/h7-9,13H,2-6H2,1H3,(H,14,17)
InChIKeyNICOPPLEIRSAMQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.02
Rot. Bonds4

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

N-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 104970833) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID104970833
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCC(NC(=O)c1noc(C2CCCN2)n1)C1CC1
InChIInChI=1S/C12H18N4O2/c1-7(8-4-5-8)14-11(17)10-15-12(18-16-10)9-3-2-6-13-9/h7-9,13H,2-6H2,1H3,(H,14,17)
InChIKeyNICOPPLEIRSAMQ-UHFFFAOYSA-N
XLogP1.02
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 104970833) is N-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is CC(NC(=O)c1noc(C2CCCN2)n1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is NICOPPLEIRSAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-7(8-4-5-8)14-11(17)10-15-12(18-16-10)9-3-2-6-13-9/h7-9,13H,2-6H2,1H3,(H,14,17).
What are the key properties of N-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 104970833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).