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

C12H18N4O2 — CID 104970760

IUPACN-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1noc(C2CCCN2)n1
InChIInChI=1S/C12H18N4O2/c17-11(14-8-4-1-2-5-8)10-15-12(18-16-10)9-6-3-7-13-9/h8-9,13H,1-7H2,(H,14,17)
InChIKeyPNSKHMYQDGZTAR-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.17
Rot. Bonds3

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

N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 104970760) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID104970760
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1noc(C2CCCN2)n1
InChIInChI=1S/C12H18N4O2/c17-11(14-8-4-1-2-5-8)10-15-12(18-16-10)9-6-3-7-13-9/h8-9,13H,1-7H2,(H,14,17)
InChIKeyPNSKHMYQDGZTAR-UHFFFAOYSA-N
XLogP1.17
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 104970760) is N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is O=C(NC1CCCC1)c1noc(C2CCCN2)n1.
What is the InChIKey of N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is PNSKHMYQDGZTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c17-11(14-8-4-1-2-5-8)10-15-12(18-16-10)9-6-3-7-13-9/h8-9,13H,1-7H2,(H,14,17).
What are the key properties of N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 104970760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).