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

C14H16ClN3O2 — CID 102538095

IUPAC3-(5-chloro-2-methoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-c1noc(C2CCCCN2)n1
InChIInChI=1S/C14H16ClN3O2/c1-19-12-6-5-9(15)8-10(12)13-17-14(20-18-13)11-4-2-3-7-16-11/h5-6,8,11,16H,2-4,7H2,1H3
InChIKeyXNNMINNOUGOMLF-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.21
Rot. Bonds3

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

3-(5-chloro-2-methoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 102538095) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID102538095
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name3-(5-chloro-2-methoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-c1noc(C2CCCCN2)n1
InChIInChI=1S/C14H16ClN3O2/c1-19-12-6-5-9(15)8-10(12)13-17-14(20-18-13)11-4-2-3-7-16-11/h5-6,8,11,16H,2-4,7H2,1H3
InChIKeyXNNMINNOUGOMLF-UHFFFAOYSA-N
XLogP3.21
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-2-ethoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 102538099
3-(5-chloro-2-propoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 102538107
3-(5-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 82624437
3-(3,4-dimethoxyphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93251332
3-(2-methoxy-4-methylphenyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 106789490
3-(2-methoxyphenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93093295
4-(5-chloro-2-methoxyphenyl)-2-piperidin-2-yl-1,3-thiazole
CID 67357807
3-(2-methoxy-3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 82626024
3-(3-bromo-4-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 106950830
3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43102485
3-(3-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 82624435
2-(5-chloro-2-methoxyphenyl)azepane
CID 4015818

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole (CID 102538095) is 3-(5-chloro-2-methoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole is COc1ccc(Cl)cc1-c1noc(C2CCCCN2)n1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is XNNMINNOUGOMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-19-12-6-5-9(15)8-10(12)13-17-14(20-18-13)11-4-2-3-7-16-11/h5-6,8,11,16H,2-4,7H2,1H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
3-(5-chloro-2-methoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole has a molecular weight of 293.75 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 102538095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).