7-chloro-2-[(4-chlorophenyl)methyl]-5-[5-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]isoindol-1-ol

C22H21Cl2N5O2 — CID 90698419

IUPAC7-chloro-2-[(4-chlorophenyl)methyl]-5-[5-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]isoindol-1-ol
SMILESOc1c2c(Cl)cc(-c3noc(CN4CCNCC4)n3)cc2cn1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H21Cl2N5O2/c23-17-3-1-14(2-4-17)11-29-12-16-9-15(10-18(24)20(16)22(29)30)21-26-19(31-27-21)13-28-7-5-25-6-8-28/h1-4,9-10,12,25,30H,5-8,11,13H2
InChIKeyVYSDDNATTQEOMV-UHFFFAOYSA-N
MW458.35 g/mol
LogP4.16
Rot. Bonds5

About 7-chloro-2-[(4-chlorophenyl)methyl]-5-[5-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]isoindol-1-ol

7-chloro-2-[(4-chlorophenyl)methyl]-5-[5-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]isoindol-1-ol (PubChem CID 90698419) has the molecular formula C22H21Cl2N5O2 and a molecular weight of 458.35 g/mol. Its IUPAC name is 7-chloro-2-[(4-chlorophenyl)methyl]-5-[5-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]isoindol-1-ol.

Molecular Properties

Compound Name7-chloro-2-[(4-chlorophenyl)methyl]-5-[5-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]isoindol-1-ol
PubChem CID90698419
Molecular FormulaC22H21Cl2N5O2
Molecular Weight458.35 g/mol
Exact Mass457.11
IUPAC Name7-chloro-2-[(4-chlorophenyl)methyl]-5-[5-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]isoindol-1-ol
SMILESOc1c2c(Cl)cc(-c3noc(CN4CCNCC4)n3)cc2cn1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H21Cl2N5O2/c23-17-3-1-14(2-4-17)11-29-12-16-9-15(10-18(24)20(16)22(29)30)21-26-19(31-27-21)13-28-7-5-25-6-8-28/h1-4,9-10,12,25,30H,5-8,11,13H2
InChIKeyVYSDDNATTQEOMV-UHFFFAOYSA-N
XLogP4.16
TPSA79.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.35
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-chloro-2-[(4-chlorophenyl)methyl]-5-[5-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]isoindol-1-ol 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

3-(3-chloro-4-fluorophenyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63092587
4-[5-(1,4-diazepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136810164
5-(1,4-diazepan-1-ylmethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 119906013
3-(4-chlorophenyl)-5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 30729741
3-(1-benzofuran-2-yl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63092011
7-chloro-5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-[(4,4-difluorocyclohexyl)methyl]isoindol-1-ol
CID 90927434
5-(1,4-diazepan-1-ylmethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole;hydrochloride
CID 119906393
7-chloro-5-[5-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
CID 25168909
4-[[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845084
3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 94700421
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperazin-1-ylbutan-1-one
CID 119400800
3-(2-bromo-3,4-difluorophenyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 107537299

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(4-chlorophenyl)methyl]-5-[5-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]isoindol-1-ol?
The IUPAC name of 7-chloro-2-[(4-chlorophenyl)methyl]-5-[5-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]isoindol-1-ol (CID 90698419) is 7-chloro-2-[(4-chlorophenyl)methyl]-5-[5-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]isoindol-1-ol.
What is the SMILES notation for 7-chloro-2-[(4-chlorophenyl)methyl]-5-[5-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]isoindol-1-ol?
The canonical SMILES for 7-chloro-2-[(4-chlorophenyl)methyl]-5-[5-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]isoindol-1-ol is Oc1c2c(Cl)cc(-c3noc(CN4CCNCC4)n3)cc2cn1Cc1ccc(Cl)cc1.
What is the InChIKey of 7-chloro-2-[(4-chlorophenyl)methyl]-5-[5-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]isoindol-1-ol?
The InChIKey is VYSDDNATTQEOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N5O2/c23-17-3-1-14(2-4-17)11-29-12-16-9-15(10-18(24)20(16)22(29)30)21-26-19(31-27-21)13-28-7-5-25-6-8-28/h1-4,9-10,12,25,30H,5-8,11,13H2.
What are the key properties of 7-chloro-2-[(4-chlorophenyl)methyl]-5-[5-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]isoindol-1-ol?
7-chloro-2-[(4-chlorophenyl)methyl]-5-[5-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]isoindol-1-ol has a molecular weight of 458.35 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(4-chlorophenyl)methyl]-5-[5-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]isoindol-1-ol is sourced from PubChem (CID 90698419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).