1-[3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine

C12H22N4O — CID 115081147

IUPAC1-[3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)c1nc(CC2CCCN2C(C)C)no1
InChIInChI=1S/C12H22N4O/c1-8(2)16-6-4-5-10(16)7-11-14-12(9(3)13)17-15-11/h8-10H,4-7,13H2,1-3H3
InChIKeyRUWZEQABQMGEAB-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.50
Rot. Bonds4

About 1-[3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine

1-[3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 115081147) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID115081147
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)c1nc(CC2CCCN2C(C)C)no1
InChIInChI=1S/C12H22N4O/c1-8(2)16-6-4-5-10(16)7-11-14-12(9(3)13)17-15-11/h8-10H,4-7,13H2,1-3H3
InChIKeyRUWZEQABQMGEAB-UHFFFAOYSA-N
XLogP1.50
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-[3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (CID 115081147) is 1-[3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-[3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is CC(N)c1nc(CC2CCCN2C(C)C)no1.
What is the InChIKey of 1-[3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is RUWZEQABQMGEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(2)16-6-4-5-10(16)7-11-14-12(9(3)13)17-15-11/h8-10H,4-7,13H2,1-3H3.
What are the key properties of 1-[3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
1-[3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 238.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 115081147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).