5-chloro-1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione

C17H9Cl2N3O3 — CID 18870510

IUPAC5-chloro-1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)c2ccc(Cl)cc21
InChIInChI=1S/C17H9Cl2N3O3/c18-9-5-6-13-11(7-9)15(23)17(24)22(13)8-14-20-21-16(25-14)10-3-1-2-4-12(10)19/h1-7H,8H2
InChIKeyRSIBZHCYLFVIRG-UHFFFAOYSA-N
MW374.18 g/mol
LogP3.77
Rot. Bonds3

About 5-chloro-1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione

5-chloro-1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione (PubChem CID 18870510) has the molecular formula C17H9Cl2N3O3 and a molecular weight of 374.18 g/mol. Its IUPAC name is 5-chloro-1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione
PubChem CID18870510
Molecular FormulaC17H9Cl2N3O3
Molecular Weight374.18 g/mol
Exact Mass373.00
IUPAC Name5-chloro-1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)c2ccc(Cl)cc21
InChIInChI=1S/C17H9Cl2N3O3/c18-9-5-6-13-11(7-9)15(23)17(24)22(13)8-14-20-21-16(25-14)10-3-1-2-4-12(10)19/h1-7H,8H2
InChIKeyRSIBZHCYLFVIRG-UHFFFAOYSA-N
XLogP3.77
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.18
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]isoindole-1,3-dione
CID 43052720
5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
CID 139227622
2-(2-chlorophenyl)-5-(1,2,4-triazol-4-ylmethyl)-1,3,4-oxadiazole
CID 45029366
(5-chloro-2-fluorophenyl)-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 55739837
2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole
CID 42632515
2-(2-chlorophenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 27128804
5-chloro-1-(2-chloroethyl)indole-2,3-dione
CID 12634820
5-chloro-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione
CID 115886887
2-(2-chlorophenyl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 17409652
2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
5-chloro-1-[(E)-3-chloroprop-2-enyl]indole-2,3-dione
CID 103826042
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 110652158

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione?
The IUPAC name of 5-chloro-1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione (CID 18870510) is 5-chloro-1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione.
What is the SMILES notation for 5-chloro-1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione?
The canonical SMILES for 5-chloro-1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione is O=C1C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)c2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione?
The InChIKey is RSIBZHCYLFVIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2N3O3/c18-9-5-6-13-11(7-9)15(23)17(24)22(13)8-14-20-21-16(25-14)10-3-1-2-4-12(10)19/h1-7H,8H2.
What are the key properties of 5-chloro-1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione?
5-chloro-1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione has a molecular weight of 374.18 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione is sourced from PubChem (CID 18870510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).