2-cyclopentylsulfanyl-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone

C19H23N3O3S — CID 121096476

IUPAC2-cyclopentylsulfanyl-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
SMILESCOc1ccccc1-c1noc(C2CN(C(=O)CSC3CCCC3)C2)n1
InChIInChI=1S/C19H23N3O3S/c1-24-16-9-5-4-8-15(16)18-20-19(25-21-18)13-10-22(11-13)17(23)12-26-14-6-2-3-7-14/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3
InChIKeyHYMDRZRLLOBUHP-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.35
Rot. Bonds6

About 2-cyclopentylsulfanyl-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone

2-cyclopentylsulfanyl-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone (PubChem CID 121096476) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
PubChem CID121096476
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-cyclopentylsulfanyl-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
SMILESCOc1ccccc1-c1noc(C2CN(C(=O)CSC3CCCC3)C2)n1
InChIInChI=1S/C19H23N3O3S/c1-24-16-9-5-4-8-15(16)18-20-19(25-21-18)13-10-22(11-13)17(23)12-26-14-6-2-3-7-14/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3
InChIKeyHYMDRZRLLOBUHP-UHFFFAOYSA-N
XLogP3.35
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-cyclopentylsulfanyl-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone 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

1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-phenylethanone
CID 121096625
cyclohexyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096536
cyclopropyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096534
1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-3,3-diphenylpropan-1-one
CID 121096639
1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 121096620
(4-methoxyphenyl)-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096558
2-(3-methoxyphenyl)-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121096693
1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(3-methylphenyl)ethanone
CID 121096632
[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenylphenyl)methanone
CID 121096603
[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-naphthalen-2-ylmethanone
CID 121096601
[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121096569
(3,4-dimethoxyphenyl)-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096564

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentylsulfanyl-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone (CID 121096476) is 2-cyclopentylsulfanyl-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentylsulfanyl-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone is COc1ccccc1-c1noc(C2CN(C(=O)CSC3CCCC3)C2)n1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone?
The InChIKey is HYMDRZRLLOBUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-24-16-9-5-4-8-15(16)18-20-19(25-21-18)13-10-22(11-13)17(23)12-26-14-6-2-3-7-14/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone?
2-cyclopentylsulfanyl-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone has a molecular weight of 373.48 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone is sourced from PubChem (CID 121096476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).