3-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine

C11H20N4O — CID 115081555

IUPAC3-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCN1CCC(c2noc(CCCN)n2)C1
InChIInChI=1S/C11H20N4O/c1-2-15-7-5-9(8-15)11-13-10(16-14-11)4-3-6-12/h9H,2-8,12H2,1H3
InChIKeyWBPOGAUGNCLRIT-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.77
Rot. Bonds5

About 3-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine

3-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 115081555) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID115081555
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCN1CCC(c2noc(CCCN)n2)C1
InChIInChI=1S/C11H20N4O/c1-2-15-7-5-9(8-15)11-13-10(16-14-11)4-3-6-12/h9H,2-8,12H2,1H3
InChIKeyWBPOGAUGNCLRIT-UHFFFAOYSA-N
XLogP0.77
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115080194
1-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 115080984
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 65391886
3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65424422
3-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 82399506
5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 29032656
5-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 115997582
3-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 79078062
3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 47022082
5-[(1-ethylpyrrolidin-3-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 115077313
6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65330439
5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 79666825

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 3-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 115081555) is 3-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CCN1CCC(c2noc(CCCN)n2)C1.
What is the InChIKey of 3-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is WBPOGAUGNCLRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-15-7-5-9(8-15)11-13-10(16-14-11)4-3-6-12/h9H,2-8,12H2,1H3.
What are the key properties of 3-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
3-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 224.31 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 115081555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).