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

C14H18ClN3O2 — CID 119948489

IUPAC3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
SMILESCOc1cccc(-c2noc(C3CCCNC3)n2)c1.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-18-12-6-2-4-10(8-12)13-16-14(19-17-13)11-5-3-7-15-9-11;/h2,4,6,8,11,15H,3,5,7,9H2,1H3;1H
InChIKeyXJNLJQRPPATXOL-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.63
Rot. Bonds3

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

3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride (PubChem CID 119948489) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID119948489
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
SMILESCOc1cccc(-c2noc(C3CCCNC3)n2)c1.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-18-12-6-2-4-10(8-12)13-16-14(19-17-13)11-5-3-7-15-9-11;/h2,4,6,8,11,15H,3,5,7,9H2,1H3;1H
InChIKeyXJNLJQRPPATXOL-UHFFFAOYSA-N
XLogP2.63
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120841699
3-(3-methoxyphenyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63032530
3-(3-ethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43519291
3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 28805640
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43625533
3-(3-chlorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 69411242
3-(2,5-dimethoxyphenyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 95733041
5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 120841721
3-(4-methoxyphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838044
3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 68927912
3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 29039427

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride (CID 119948489) is 3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride is COc1cccc(-c2noc(C3CCCNC3)n2)c1.Cl.
What is the InChIKey of 3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is XJNLJQRPPATXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.ClH/c1-18-12-6-2-4-10(8-12)13-16-14(19-17-13)11-5-3-7-15-9-11;/h2,4,6,8,11,15H,3,5,7,9H2,1H3;1H.
What are the key properties of 3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride?
3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 119948489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).