5,6-dichloro-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]isoindole-1,3-dione

C17H8Cl3N3O3 — CID 43052720

IUPAC5,6-dichloro-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2cc(Cl)c(Cl)cc2C(=O)N1Cc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C17H8Cl3N3O3/c18-11-4-2-1-3-8(11)15-22-21-14(26-15)7-23-16(24)9-5-12(19)13(20)6-10(9)17(23)25/h1-6H,7H2
InChIKeyPZPWMFGTFQLTBO-UHFFFAOYSA-N
MW408.63 g/mol
LogP4.49
Rot. Bonds3

About 5,6-dichloro-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]isoindole-1,3-dione

5,6-dichloro-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]isoindole-1,3-dione (PubChem CID 43052720) has the molecular formula C17H8Cl3N3O3 and a molecular weight of 408.63 g/mol. Its IUPAC name is 5,6-dichloro-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5,6-dichloro-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]isoindole-1,3-dione
PubChem CID43052720
Molecular FormulaC17H8Cl3N3O3
Molecular Weight408.63 g/mol
Exact Mass406.96
IUPAC Name5,6-dichloro-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2cc(Cl)c(Cl)cc2C(=O)N1Cc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C17H8Cl3N3O3/c18-11-4-2-1-3-8(11)15-22-21-14(26-15)7-23-16(24)9-5-12(19)13(20)6-10(9)17(23)25/h1-6H,7H2
InChIKeyPZPWMFGTFQLTBO-UHFFFAOYSA-N
XLogP4.49
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.63
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-chloro-1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione
CID 18870510
2-(2-chlorophenyl)-5-(1,2,4-triazol-4-ylmethyl)-1,3,4-oxadiazole
CID 45029366
2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82159367
2-(2-chlorophenyl)-5-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 30727885
2-(2-chlorophenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 27128804
2-(2-chlorophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 41488022
2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-5-(2-chlorophenyl)-1,3,4-oxadiazole
CID 62396005
(5-chloro-2-fluorophenyl)-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 55739837
1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542422
2-(2-chlorophenyl)-5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3,4-oxadiazole
CID 32792520
2-[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-yl]ethanol
CID 86790863

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 5,6-dichloro-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]isoindole-1,3-dione (CID 43052720) is 5,6-dichloro-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 5,6-dichloro-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 5,6-dichloro-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]isoindole-1,3-dione is O=C1c2cc(Cl)c(Cl)cc2C(=O)N1Cc1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of 5,6-dichloro-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]isoindole-1,3-dione?
The InChIKey is PZPWMFGTFQLTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl3N3O3/c18-11-4-2-1-3-8(11)15-22-21-14(26-15)7-23-16(24)9-5-12(19)13(20)6-10(9)17(23)25/h1-6H,7H2.
What are the key properties of 5,6-dichloro-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]isoindole-1,3-dione?
5,6-dichloro-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]isoindole-1,3-dione has a molecular weight of 408.63 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 43052720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).