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

C13H24N4O — CID 115081479

IUPAC2-[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(C)N1CCCC(Cc2noc(CCN)n2)C1
InChIInChI=1S/C13H24N4O/c1-10(2)17-7-3-4-11(9-17)8-12-15-13(5-6-14)18-16-12/h10-11H,3-9,14H2,1-2H3
InChIKeyNPGQFWGGVGNQJC-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.23
Rot. Bonds5

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

2-[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 115081479) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID115081479
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(C)N1CCCC(Cc2noc(CCN)n2)C1
InChIInChI=1S/C13H24N4O/c1-10(2)17-7-3-4-11(9-17)8-12-15-13(5-6-14)18-16-12/h10-11H,3-9,14H2,1-2H3
InChIKeyNPGQFWGGVGNQJC-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
1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 115081314
2-[5-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 115077578
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
5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2,4-oxadiazole-3-carbaldehyde
CID 115078505
5-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115078562
2-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336068
1-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115077307
ethyl (2S)-2-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propanoate
CID 124628859
3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081652
[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 115078590

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (CID 115081479) is 2-[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is CC(C)N1CCCC(Cc2noc(CCN)n2)C1.
What is the InChIKey of 2-[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is NPGQFWGGVGNQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)17-7-3-4-11(9-17)8-12-15-13(5-6-14)18-16-12/h10-11H,3-9,14H2,1-2H3.
What are the key properties of 2-[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
2-[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine 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 2-[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 115081479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).