5-(2,4-dichlorophenoxy)-3-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one

C24H19Cl2N3O4 — CID 46830874

IUPAC5-(2,4-dichlorophenoxy)-3-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(Oc2ccc(Cl)cc2Cl)nn1-c1ccc(OCCN2Cc3ccccc3C2)cc1
InChIInChI=1S/C24H19Cl2N3O4/c25-18-5-10-22(21(26)13-18)32-23-27-29(24(30)33-23)19-6-8-20(9-7-19)31-12-11-28-14-16-3-1-2-4-17(16)15-28/h1-10,13H,11-12,14-15H2
InChIKeyBBPWBXMXVVFCLU-UHFFFAOYSA-N
MW484.34 g/mol
LogP5.32
Rot. Bonds7

About 5-(2,4-dichlorophenoxy)-3-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one

5-(2,4-dichlorophenoxy)-3-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one (PubChem CID 46830874) has the molecular formula C24H19Cl2N3O4 and a molecular weight of 484.34 g/mol. Its IUPAC name is 5-(2,4-dichlorophenoxy)-3-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(2,4-dichlorophenoxy)-3-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one
PubChem CID46830874
Molecular FormulaC24H19Cl2N3O4
Molecular Weight484.34 g/mol
Exact Mass483.08
IUPAC Name5-(2,4-dichlorophenoxy)-3-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(Oc2ccc(Cl)cc2Cl)nn1-c1ccc(OCCN2Cc3ccccc3C2)cc1
InChIInChI=1S/C24H19Cl2N3O4/c25-18-5-10-22(21(26)13-18)32-23-27-29(24(30)33-23)19-6-8-20(9-7-19)31-12-11-28-14-16-3-1-2-4-17(16)15-28/h1-10,13H,11-12,14-15H2
InChIKeyBBPWBXMXVVFCLU-UHFFFAOYSA-N
XLogP5.32
TPSA69.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.34
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(2,4-dichlorophenoxy)-3-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one 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-(4-chlorophenoxy)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one
CID 46834627
5-(4-chlorophenoxy)-3-[4-(3-piperazin-1-ylpropoxy)phenyl]-1,3,4-oxadiazol-2-one
CID 46834912
5-(2,4-difluorophenoxy)-3-[4-(3-piperazin-1-ylpropoxy)phenyl]-1,3,4-oxadiazol-2-one;dihydrochloride
CID 162648694
4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]aniline
CID 55050236
6-chloro-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinoline
CID 110456922
2-[4-(2,4-dichlorophenoxy)phenyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 134095345
1-[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]tetrazole
CID 46814565
2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole
CID 62205043
6,8-dichloro-1-[2-(4-chlorophenoxy)ethyl]-3,1-benzoxazine-2,4-dione
CID 18803871
(3S)-3'-[2-(2,4-dichlorophenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2417216
6-chloro-3-(2-phenoxyethyl)-1,4-dihydroquinazolin-2-one
CID 175720040
1-[3-(4-chlorophenoxy)propyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997224

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenoxy)-3-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(2,4-dichlorophenoxy)-3-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one (CID 46830874) is 5-(2,4-dichlorophenoxy)-3-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(2,4-dichlorophenoxy)-3-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(2,4-dichlorophenoxy)-3-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one is O=c1oc(Oc2ccc(Cl)cc2Cl)nn1-c1ccc(OCCN2Cc3ccccc3C2)cc1.
What is the InChIKey of 5-(2,4-dichlorophenoxy)-3-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one?
The InChIKey is BBPWBXMXVVFCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O4/c25-18-5-10-22(21(26)13-18)32-23-27-29(24(30)33-23)19-6-8-20(9-7-19)31-12-11-28-14-16-3-1-2-4-17(16)15-28/h1-10,13H,11-12,14-15H2.
What are the key properties of 5-(2,4-dichlorophenoxy)-3-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one?
5-(2,4-dichlorophenoxy)-3-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one has a molecular weight of 484.34 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenoxy)-3-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]phenyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 46830874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).