3-(1-ethoxybutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole

C15H27N3O2 — CID 116702435

IUPAC3-(1-ethoxybutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC(OCC)c1noc(C2(CCC)CCNC2)n1
InChIInChI=1S/C15H27N3O2/c1-4-7-12(19-6-3)13-17-14(20-18-13)15(8-5-2)9-10-16-11-15/h12,16H,4-11H2,1-3H3
InChIKeyJFNLDNMBABXIPT-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.98
Rot. Bonds8

About 3-(1-ethoxybutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-(1-ethoxybutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 116702435) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-(1-ethoxybutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-ethoxybutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID116702435
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-(1-ethoxybutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC(OCC)c1noc(C2(CCC)CCNC2)n1
InChIInChI=1S/C15H27N3O2/c1-4-7-12(19-6-3)13-17-14(20-18-13)15(8-5-2)9-10-16-11-15/h12,16H,4-11H2,1-3H3
InChIKeyJFNLDNMBABXIPT-UHFFFAOYSA-N
XLogP2.98
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxybutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-ethoxybutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 116702435) is 3-(1-ethoxybutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-ethoxybutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-ethoxybutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole is CCCC(OCC)c1noc(C2(CCC)CCNC2)n1.
What is the InChIKey of 3-(1-ethoxybutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is JFNLDNMBABXIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-7-12(19-6-3)13-17-14(20-18-13)15(8-5-2)9-10-16-11-15/h12,16H,4-11H2,1-3H3.
What are the key properties of 3-(1-ethoxybutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-(1-ethoxybutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 281.40 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxybutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 116702435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).