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

C14H18ClN3O — CID 75526655

IUPAC3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
SMILESCc1ccc(-c2noc(C3CCCCN3)n2)cc1.Cl
InChIInChI=1S/C14H17N3O.ClH/c1-10-5-7-11(8-6-10)13-16-14(18-17-13)12-4-2-3-9-15-12;/h5-8,12,15H,2-4,9H2,1H3;1H
InChIKeyQAMVRSLGYIMMIV-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.28
Rot. Bonds2

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

3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride (PubChem CID 75526655) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID75526655
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
SMILESCc1ccc(-c2noc(C3CCCCN3)n2)cc1.Cl
InChIInChI=1S/C14H17N3O.ClH/c1-10-5-7-11(8-6-10)13-16-14(18-17-13)12-4-2-3-9-15-12;/h5-8,12,15H,2-4,9H2,1H3;1H
InChIKeyQAMVRSLGYIMMIV-UHFFFAOYSA-N
XLogP3.28
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 64560736
4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135973873
3-(4-ethylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43627432
3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43109257
3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 3998388
3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 119999990
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-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 43627431
3-(3,4-dimethoxyphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93251332
3-(4-bromo-3,5-dimethylphenyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915212
3-(furan-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914944

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride (CID 75526655) is 3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride is Cc1ccc(-c2noc(C3CCCCN3)n2)cc1.Cl.
What is the InChIKey of 3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is QAMVRSLGYIMMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O.ClH/c1-10-5-7-11(8-6-10)13-16-14(18-17-13)12-4-2-3-9-15-12;/h5-8,12,15H,2-4,9H2,1H3;1H.
What are the key properties of 3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride?
3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 279.77 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 75526655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).