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

C18H22ClN3O2 — CID 138052702

IUPAC3-(3-chloro-2-methoxyphenyl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole
SMILESCOc1c(Cl)cccc1-c1noc(C2CN(C3CCCCC3)C2)n1
InChIInChI=1S/C18H22ClN3O2/c1-23-16-14(8-5-9-15(16)19)17-20-18(24-21-17)12-10-22(11-12)13-6-3-2-4-7-13/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3
InChIKeyRZSHSOFJDABJFZ-UHFFFAOYSA-N
MW347.85 g/mol
LogP4.13
Rot. Bonds4

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

3-(3-chloro-2-methoxyphenyl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole (PubChem CID 138052702) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 3-(3-chloro-2-methoxyphenyl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chloro-2-methoxyphenyl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole
PubChem CID138052702
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name3-(3-chloro-2-methoxyphenyl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole
SMILESCOc1c(Cl)cccc1-c1noc(C2CN(C3CCCCC3)C2)n1
InChIInChI=1S/C18H22ClN3O2/c1-23-16-14(8-5-9-15(16)19)17-20-18(24-21-17)12-10-22(11-12)13-6-3-2-4-7-13/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3
InChIKeyRZSHSOFJDABJFZ-UHFFFAOYSA-N
XLogP4.13
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3-chloro-2-methoxyphenyl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-cyclohexylazetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 128791883
cyclohexyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096536
3-(5-bromofuran-2-yl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole
CID 136548166
cyclopropyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096534
3-(2-methoxy-3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 82626024
[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121096569
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63346190
3-(2,3-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole
CID 46342204
3-(3-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 82624435
[1-(4-chlorophenyl)cyclopentyl]-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096640
2-cyclopentylsulfanyl-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121096476
1-[4-[3-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 136531424

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methoxyphenyl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chloro-2-methoxyphenyl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole (CID 138052702) is 3-(3-chloro-2-methoxyphenyl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chloro-2-methoxyphenyl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chloro-2-methoxyphenyl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole is COc1c(Cl)cccc1-c1noc(C2CN(C3CCCCC3)C2)n1.
What is the InChIKey of 3-(3-chloro-2-methoxyphenyl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is RZSHSOFJDABJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-23-16-14(8-5-9-15(16)19)17-20-18(24-21-17)12-10-22(11-12)13-6-3-2-4-7-13/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3.
What are the key properties of 3-(3-chloro-2-methoxyphenyl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole?
3-(3-chloro-2-methoxyphenyl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 347.85 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methoxyphenyl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 138052702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).