[1-(4-chlorophenyl)cyclopentyl]-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone

C24H24ClN3O3 — CID 121096640

IUPAC[1-(4-chlorophenyl)cyclopentyl]-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
SMILESCOc1ccccc1-c1noc(C2CN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)C2)n1
InChIInChI=1S/C24H24ClN3O3/c1-30-20-7-3-2-6-19(20)21-26-22(31-27-21)16-14-28(15-16)23(29)24(12-4-5-13-24)17-8-10-18(25)11-9-17/h2-3,6-11,16H,4-5,12-15H2,1H3
InChIKeyWRYGDPNDCLEAKI-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.84
Rot. Bonds5

About [1-(4-chlorophenyl)cyclopentyl]-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone

[1-(4-chlorophenyl)cyclopentyl]-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone (PubChem CID 121096640) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopentyl]-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopentyl]-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
PubChem CID121096640
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name[1-(4-chlorophenyl)cyclopentyl]-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
SMILESCOc1ccccc1-c1noc(C2CN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)C2)n1
InChIInChI=1S/C24H24ClN3O3/c1-30-20-7-3-2-6-19(20)21-26-22(31-27-21)16-14-28(15-16)23(29)24(12-4-5-13-24)17-8-10-18(25)11-9-17/h2-3,6-11,16H,4-5,12-15H2,1H3
InChIKeyWRYGDPNDCLEAKI-UHFFFAOYSA-N
XLogP4.84
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096534
(4-methoxyphenyl)-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096558
cyclohexyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096536
[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
[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenylphenyl)methanone
CID 121096603
1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-phenylethanone
CID 121096625
1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-3,3-diphenylpropan-1-one
CID 121096639
2-cyclopentylsulfanyl-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121096476
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096669
[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 121096523

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone (CID 121096640) is [1-(4-chlorophenyl)cyclopentyl]-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopentyl]-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopentyl]-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone is COc1ccccc1-c1noc(C2CN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)C2)n1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopentyl]-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
The InChIKey is WRYGDPNDCLEAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-30-20-7-3-2-6-19(20)21-26-22(31-27-21)16-14-28(15-16)23(29)24(12-4-5-13-24)17-8-10-18(25)11-9-17/h2-3,6-11,16H,4-5,12-15H2,1H3.
What are the key properties of [1-(4-chlorophenyl)cyclopentyl]-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
[1-(4-chlorophenyl)cyclopentyl]-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone has a molecular weight of 437.93 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopentyl]-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 121096640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).