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

C16H19ClN6O — CID 120833760

IUPAC3-(4-methylphenyl)-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCc1ccc(-c2noc(-c3ncn(C4CCCNC4)n3)n2)cc1.Cl
InChIInChI=1S/C16H18N6O.ClH/c1-11-4-6-12(7-5-11)14-19-16(23-21-14)15-18-10-22(20-15)13-3-2-8-17-9-13;/h4-7,10,13,17H,2-3,8-9H2,1H3;1H
InChIKeyQAXMGHHMXRPRNQ-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.65
Rot. Bonds3

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

3-(4-methylphenyl)-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120833760) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120833760
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC Name3-(4-methylphenyl)-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCc1ccc(-c2noc(-c3ncn(C4CCCNC4)n3)n2)cc1.Cl
InChIInChI=1S/C16H18N6O.ClH/c1-11-4-6-12(7-5-11)14-19-16(23-21-14)15-18-10-22(20-15)13-3-2-8-17-9-13;/h4-7,10,13,17H,2-3,8-9H2,1H3;1H
InChIKeyQAXMGHHMXRPRNQ-UHFFFAOYSA-N
XLogP2.65
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(4-methylphenyl)-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride with MolForge

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Related Compounds

3-methyl-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120833998
3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 29039427
3-(4-piperidin-1-ylphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120841635
5-(4-methylphenyl)-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939484
3-(oxolan-2-yl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120893788
3-(3-chloro-4,5-dimethoxyphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120838813
(3R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
CID 95228881
3-(4-tert-butylphenyl)-5-(5-methyl-1-pyrrolidin-3-yltriazol-4-yl)-1,2,4-oxadiazole
CID 166243796
3-naphthalen-1-yl-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120841250
3-(phenoxymethyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120836378
N-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 120835209
methyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate
CID 163353124

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(4-methylphenyl)-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride (CID 120833760) is 3-(4-methylphenyl)-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(4-methylphenyl)-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(4-methylphenyl)-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride is Cc1ccc(-c2noc(-c3ncn(C4CCCNC4)n3)n2)cc1.Cl.
What is the InChIKey of 3-(4-methylphenyl)-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is QAXMGHHMXRPRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O.ClH/c1-11-4-6-12(7-5-11)14-19-16(23-21-14)15-18-10-22(20-15)13-3-2-8-17-9-13;/h4-7,10,13,17H,2-3,8-9H2,1H3;1H.
What are the key properties of 3-(4-methylphenyl)-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride?
3-(4-methylphenyl)-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 346.82 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120833760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).