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

C16H20ClN3O2 — CID 102538107

IUPAC3-(5-chloro-2-propoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
SMILESCCCOc1ccc(Cl)cc1-c1noc(C2CCCCN2)n1
InChIInChI=1S/C16H20ClN3O2/c1-2-9-21-14-7-6-11(17)10-12(14)15-19-16(22-20-15)13-5-3-4-8-18-13/h6-7,10,13,18H,2-5,8-9H2,1H3
InChIKeyZGUXBGQEUVEYCY-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.99
Rot. Bonds5

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

3-(5-chloro-2-propoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 102538107) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 3-(5-chloro-2-propoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-chloro-2-propoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID102538107
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name3-(5-chloro-2-propoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
SMILESCCCOc1ccc(Cl)cc1-c1noc(C2CCCCN2)n1
InChIInChI=1S/C16H20ClN3O2/c1-2-9-21-14-7-6-11(17)10-12(14)15-19-16(22-20-15)13-5-3-4-8-18-13/h6-7,10,13,18H,2-5,8-9H2,1H3
InChIKeyZGUXBGQEUVEYCY-UHFFFAOYSA-N
XLogP3.99
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.99
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-methoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 102538095
3-(3,5-dimethyl-4-propoxyphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 97179482
3-(3,4-dimethoxyphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93251332
3-(5-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 82624437
3-(2-methoxy-4-methylphenyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 106789490
(1R)-1-[3-(5-chloro-2-propoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 129450963
(1S)-1-[3-(5-chloro-2-propoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 129450964
3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43102485
3-(4-ethylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43627432
3-naphthalen-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832593
3-(4-fluoro-3-methylphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93350964

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-propoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(5-chloro-2-propoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole (CID 102538107) is 3-(5-chloro-2-propoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-chloro-2-propoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-chloro-2-propoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole is CCCOc1ccc(Cl)cc1-c1noc(C2CCCCN2)n1.
What is the InChIKey of 3-(5-chloro-2-propoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is ZGUXBGQEUVEYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-2-9-21-14-7-6-11(17)10-12(14)15-19-16(22-20-15)13-5-3-4-8-18-13/h6-7,10,13,18H,2-5,8-9H2,1H3.
What are the key properties of 3-(5-chloro-2-propoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
3-(5-chloro-2-propoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole has a molecular weight of 321.81 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-propoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 102538107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).