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

C13H24N4O — CID 115081314

IUPAC1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1nc(CC2CCN(C(C)C)C2)no1
InChIInChI=1S/C13H24N4O/c1-9(2)17-5-4-11(8-17)7-12-15-13(18-16-12)6-10(3)14/h9-11H,4-8,14H2,1-3H3
InChIKeyLIHJRUMZNXHKGG-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.23
Rot. Bonds5

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

1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 115081314) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID115081314
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1nc(CC2CCN(C(C)C)C2)no1
InChIInChI=1S/C13H24N4O/c1-9(2)17-5-4-11(8-17)7-12-15-13(18-16-12)6-10(3)14/h9-11H,4-8,14H2,1-3H3
InChIKeyLIHJRUMZNXHKGG-UHFFFAOYSA-N
XLogP1.23
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081310
N-methyl-1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115081030
2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080444
2-[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081479
1-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115077307
2-[5-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 115077578
1-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 115080232
1-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 115080074
1-[5-(oxan-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115077562
[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]methanamine
CID 115082349
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 94058250
N-methyl-1-[3-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115081022

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 115081314) is 1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine is CC(N)Cc1nc(CC2CCN(C(C)C)C2)no1.
What is the InChIKey of 1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is LIHJRUMZNXHKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9(2)17-5-4-11(8-17)7-12-15-13(18-16-12)6-10(3)14/h9-11H,4-8,14H2,1-3H3.
What are the key properties of 1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine?
1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 252.36 g/mol, XLogP of 1.23, 5 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-3-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 115081314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).