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

C14H24N4O3 — CID 104970779

IUPACN-(3-butoxypropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCCCCOCCCNC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C14H24N4O3/c1-2-3-9-20-10-5-8-16-13(19)12-17-14(21-18-12)11-6-4-7-15-11/h11,15H,2-10H2,1H3,(H,16,19)
InChIKeyYLNOYISZTNSDGK-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.43
Rot. Bonds9

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

N-(3-butoxypropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 104970779) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(3-butoxypropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID104970779
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC NameN-(3-butoxypropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCCCCOCCCNC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C14H24N4O3/c1-2-3-9-20-10-5-8-16-13(19)12-17-14(21-18-12)11-6-4-7-15-11/h11,15H,2-10H2,1H3,(H,16,19)
InChIKeyYLNOYISZTNSDGK-UHFFFAOYSA-N
XLogP1.43
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(3-butoxypropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 104970779) is N-(3-butoxypropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is CCCCOCCCNC(=O)c1noc(C2CCCN2)n1.
What is the InChIKey of N-(3-butoxypropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is YLNOYISZTNSDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-2-3-9-20-10-5-8-16-13(19)12-17-14(21-18-12)11-6-4-7-15-11/h11,15H,2-10H2,1H3,(H,16,19).
What are the key properties of N-(3-butoxypropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-(3-butoxypropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 1.43, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 104970779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).