3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole

C14H17N3O — CID 43109257

IUPAC3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(C3CCCCN3)n2)c1
InChIInChI=1S/C14H17N3O/c1-10-5-4-6-11(9-10)13-16-14(18-17-13)12-7-2-3-8-15-12/h4-6,9,12,15H,2-3,7-8H2,1H3
InChIKeyHYNYOFKMSLQLEU-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.86
Rot. Bonds2

About 3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole

3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 43109257) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID43109257
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(C3CCCCN3)n2)c1
InChIInChI=1S/C14H17N3O/c1-10-5-4-6-11(9-10)13-16-14(18-17-13)12-7-2-3-8-15-12/h4-6,9,12,15H,2-3,7-8H2,1H3
InChIKeyHYNYOFKMSLQLEU-UHFFFAOYSA-N
XLogP2.86
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 75526655
5-(azepan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 64560736
3-(4-fluoro-3-methylphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93350964
2,6-dimethyl-4-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 136854683
3-(3-methylphenyl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780773
3-(3,4-dimethoxyphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93251332
3-(4-methyl-2-pyridinyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914942
3-(4-bromo-3,5-dimethylphenyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915212
3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43102485
3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900526
(3R,5R)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912148
5-[(2R)-piperidin-2-yl]-3-quinoxalin-6-yl-1,2,4-oxadiazole
CID 104914946

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole (CID 43109257) is 3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole is Cc1cccc(-c2noc(C3CCCCN3)n2)c1.
What is the InChIKey of 3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is HYNYOFKMSLQLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-5-4-6-11(9-10)13-16-14(18-17-13)12-7-2-3-8-15-12/h4-6,9,12,15H,2-3,7-8H2,1H3.
What are the key properties of 3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole has a molecular weight of 243.31 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 43109257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).