5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-amine

C8H14N4O — CID 22361901

IUPAC5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-amine
SMILESCC1CCNC(c2nc(N)no2)C1
InChIInChI=1S/C8H14N4O/c1-5-2-3-10-6(4-5)7-11-8(9)12-13-7/h5-6,10H,2-4H2,1H3,(H2,9,12)
InChIKeyNWRZYPJRDKHTDS-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.71
Rot. Bonds1

About 5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-amine

5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-amine (PubChem CID 22361901) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-amine
PubChem CID22361901
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-amine
SMILESCC1CCNC(c2nc(N)no2)C1
InChIInChI=1S/C8H14N4O/c1-5-2-3-10-6(4-5)7-11-8(9)12-13-7/h5-6,10H,2-4H2,1H3,(H2,9,12)
InChIKeyNWRZYPJRDKHTDS-UHFFFAOYSA-N
XLogP0.71
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,2-dimethylcyclopropyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107925074
4-[5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 114425032
5-(4-methylpiperidin-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 114424820
3-(4-methoxyphenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424831
3-(2-methyl-1,3-oxazol-4-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114282534
3-[(4-chlorophenyl)methyl]-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424808
5-(4-methylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 114424841
3-[(4-fluorophenyl)methyl]-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424827
3-(3-methoxyphenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424834
3-(3,4-difluorophenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424842
5-(4-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine
CID 114426843
5-(4-methylpiperidin-2-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 114876582

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-amine (CID 22361901) is 5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-amine is CC1CCNC(c2nc(N)no2)C1.
What is the InChIKey of 5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-amine?
The InChIKey is NWRZYPJRDKHTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5-2-3-10-6(4-5)7-11-8(9)12-13-7/h5-6,10H,2-4H2,1H3,(H2,9,12).
What are the key properties of 5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-amine?
5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-amine has a molecular weight of 182.23 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 22361901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).