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

C12H8ClN3O3 — CID 61355101

IUPAC6-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
SMILESCc1nc(CN2C(=O)C(=O)c3ccc(Cl)cc32)no1
InChIInChI=1S/C12H8ClN3O3/c1-6-14-10(15-19-6)5-16-9-4-7(13)2-3-8(9)11(17)12(16)18/h2-4H,5H2,1H3
InChIKeyCHDCFSIUPWVNQD-UHFFFAOYSA-N
MW277.67 g/mol
LogP1.76
Rot. Bonds2

About 6-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione

6-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione (PubChem CID 61355101) has the molecular formula C12H8ClN3O3 and a molecular weight of 277.67 g/mol. Its IUPAC name is 6-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name6-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
PubChem CID61355101
Molecular FormulaC12H8ClN3O3
Molecular Weight277.67 g/mol
Exact Mass277.03
IUPAC Name6-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
SMILESCc1nc(CN2C(=O)C(=O)c3ccc(Cl)cc32)no1
InChIInChI=1S/C12H8ClN3O3/c1-6-14-10(15-19-6)5-16-9-4-7(13)2-3-8(9)11(17)12(16)18/h2-4H,5H2,1H3
InChIKeyCHDCFSIUPWVNQD-UHFFFAOYSA-N
XLogP1.76
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.67
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione?
The IUPAC name of 6-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione (CID 61355101) is 6-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 6-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione?
The canonical SMILES for 6-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione is Cc1nc(CN2C(=O)C(=O)c3ccc(Cl)cc32)no1.
What is the InChIKey of 6-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione?
The InChIKey is CHDCFSIUPWVNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O3/c1-6-14-10(15-19-6)5-16-9-4-7(13)2-3-8(9)11(17)12(16)18/h2-4H,5H2,1H3.
What are the key properties of 6-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione?
6-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione has a molecular weight of 277.67 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 61355101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).