1-[3-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine

C13H24N4O — CID 115081408

IUPAC1-[3-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
SMILESCCN1CCCCC1c1noc(CC(C)NC)n1
InChIInChI=1S/C13H24N4O/c1-4-17-8-6-5-7-11(17)13-15-12(18-16-13)9-10(2)14-3/h10-11,14H,4-9H2,1-3H3
InChIKeyQOARZWOMDXWNAS-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.77
Rot. Bonds5

About 1-[3-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine

1-[3-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine (PubChem CID 115081408) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[3-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[3-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
PubChem CID115081408
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[3-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
SMILESCCN1CCCCC1c1noc(CC(C)NC)n1
InChIInChI=1S/C13H24N4O/c1-4-17-8-6-5-7-11(17)13-15-12(18-16-13)9-10(2)14-3/h10-11,14H,4-9H2,1-3H3
InChIKeyQOARZWOMDXWNAS-UHFFFAOYSA-N
XLogP1.77
TPSA54.19 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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 115081381
1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 115080267
1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 114216646
1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 65414269
1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 65392265
N-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116809152
1-[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 115078039
2-[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 115078058
1-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 79966285
N-methyl-1-[5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115078063
5-ethyl-3-[(2S)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 129490469
N-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 95763147

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[3-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine (CID 115081408) is 1-[3-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[3-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[3-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine is CCN1CCCCC1c1noc(CC(C)NC)n1.
What is the InChIKey of 1-[3-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The InChIKey is QOARZWOMDXWNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-17-8-6-5-7-11(17)13-15-12(18-16-13)9-10(2)14-3/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 1-[3-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
1-[3-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine has a molecular weight of 252.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 115081408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).