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

C15H28N4O — CID 104635935

IUPAC1-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine
SMILESCCCC(CCC)c1nc(C(N)CN2CCCC2)no1
InChIInChI=1S/C15H28N4O/c1-3-7-12(8-4-2)15-17-14(18-20-15)13(16)11-19-9-5-6-10-19/h12-13H,3-11,16H2,1-2H3
InChIKeyMYPIFNOZERIRIV-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.85
Rot. Bonds8

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

1-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine (PubChem CID 104635935) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name1-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine
PubChem CID104635935
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine
SMILESCCCC(CCC)c1nc(C(N)CN2CCCC2)no1
InChIInChI=1S/C15H28N4O/c1-3-7-12(8-4-2)15-17-14(18-20-15)13(16)11-19-9-5-6-10-19/h12-13H,3-11,16H2,1-2H3
InChIKeyMYPIFNOZERIRIV-UHFFFAOYSA-N
XLogP2.85
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine
CID 104635871
1-(5-butan-2-yl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
CID 113435612
1-(5-ethoxy-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine
CID 104635764
1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
CID 104635946
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
CID 104635994
1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 104635759
1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 106828772
1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 104636055
1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 113435617
2-piperidin-1-yl-1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104635977
1-[5-(2-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 107182992
1-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 103121999

Frequently Asked Questions

What is the IUPAC name of 1-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 1-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine (CID 104635935) is 1-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 1-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 1-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine is CCCC(CCC)c1nc(C(N)CN2CCCC2)no1.
What is the InChIKey of 1-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is MYPIFNOZERIRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-3-7-12(8-4-2)15-17-14(18-20-15)13(16)11-19-9-5-6-10-19/h12-13H,3-11,16H2,1-2H3.
What are the key properties of 1-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine?
1-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 280.42 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 104635935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).