3-(azepan-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole

C14H24N4O — CID 106743714

IUPAC3-(azepan-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1CC(c2nc(N3CCCCCC3)no2)CCN1
InChIInChI=1S/C14H24N4O/c1-11-10-12(6-7-15-11)13-16-14(17-19-13)18-8-4-2-3-5-9-18/h11-12,15H,2-10H2,1H3
InChIKeyWVJDNPQMDMJPTC-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.31
Rot. Bonds2

About 3-(azepan-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole

3-(azepan-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 106743714) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(azepan-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(azepan-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID106743714
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-(azepan-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1CC(c2nc(N3CCCCCC3)no2)CCN1
InChIInChI=1S/C14H24N4O/c1-11-10-12(6-7-15-11)13-16-14(17-19-13)18-8-4-2-3-5-9-18/h11-12,15H,2-10H2,1H3
InChIKeyWVJDNPQMDMJPTC-UHFFFAOYSA-N
XLogP2.31
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylpiperazin-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743713
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 103552158
3-piperidin-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915206
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine
CID 116809369
4-[5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 114425032
3-(3-methylbutyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743345
3-(azepan-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 116808059
5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(azepan-1-yl)-1,2,4-oxadiazole
CID 116808055
3-(3,4-dichlorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743582
5-(azepan-2-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazole
CID 116807687
4-[5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888982
3-(3,5-difluorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743347

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(azepan-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole (CID 106743714) is 3-(azepan-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(azepan-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(azepan-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole is CC1CC(c2nc(N3CCCCCC3)no2)CCN1.
What is the InChIKey of 3-(azepan-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is WVJDNPQMDMJPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11-10-12(6-7-15-11)13-16-14(17-19-13)18-8-4-2-3-5-9-18/h11-12,15H,2-10H2,1H3.
What are the key properties of 3-(azepan-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
3-(azepan-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 264.37 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 106743714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).