1-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine

C13H24N4O — CID 104635871

IUPAC1-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine
SMILESCCC(CC)c1nc(C(N)CN2CCCC2)no1
InChIInChI=1S/C13H24N4O/c1-3-10(4-2)13-15-12(16-18-13)11(14)9-17-7-5-6-8-17/h10-11H,3-9,14H2,1-2H3
InChIKeyHGRLFZAHLBIWKQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.07
Rot. Bonds6

About 1-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine

1-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine (PubChem CID 104635871) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name1-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine
PubChem CID104635871
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine
SMILESCCC(CC)c1nc(C(N)CN2CCCC2)no1
InChIInChI=1S/C13H24N4O/c1-3-10(4-2)13-15-12(16-18-13)11(14)9-17-7-5-6-8-17/h10-11H,3-9,14H2,1-2H3
InChIKeyHGRLFZAHLBIWKQ-UHFFFAOYSA-N
XLogP2.07
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 1-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine (CID 104635871) is 1-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 1-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 1-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine is CCC(CC)c1nc(C(N)CN2CCCC2)no1.
What is the InChIKey of 1-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is HGRLFZAHLBIWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-10(4-2)13-15-12(16-18-13)11(14)9-17-7-5-6-8-17/h10-11H,3-9,14H2,1-2H3.
What are the key properties of 1-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine?
1-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 252.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 104635871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).