5-bromo-7-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione

C13H10BrN3O3 — CID 61355173

IUPAC5-bromo-7-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
SMILESCc1nc(CN2C(=O)C(=O)c3cc(Br)cc(C)c32)no1
InChIInChI=1S/C13H10BrN3O3/c1-6-3-8(14)4-9-11(6)17(13(19)12(9)18)5-10-15-7(2)20-16-10/h3-4H,5H2,1-2H3
InChIKeyDTQBTOVGIAIHOV-UHFFFAOYSA-N
MW336.15 g/mol
LogP2.18
Rot. Bonds2

About 5-bromo-7-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione

5-bromo-7-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione (PubChem CID 61355173) has the molecular formula C13H10BrN3O3 and a molecular weight of 336.15 g/mol. Its IUPAC name is 5-bromo-7-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-7-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
PubChem CID61355173
Molecular FormulaC13H10BrN3O3
Molecular Weight336.15 g/mol
Exact Mass334.99
IUPAC Name5-bromo-7-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
SMILESCc1nc(CN2C(=O)C(=O)c3cc(Br)cc(C)c32)no1
InChIInChI=1S/C13H10BrN3O3/c1-6-3-8(14)4-9-11(6)17(13(19)12(9)18)5-10-15-7(2)20-16-10/h3-4H,5H2,1-2H3
InChIKeyDTQBTOVGIAIHOV-UHFFFAOYSA-N
XLogP2.18
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-bromo-7-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione with MolForge

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Related Compounds

5-bromo-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-methylindole-2,3-dione
CID 79764352
6-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
CID 61355101
5-bromo-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7-methylindole-2,3-dione
CID 61484664
5-bromo-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one
CID 81422735
5-bromo-1-butyl-7-methylindole-2,3-dione
CID 7574111
5-bromo-7-methyl-1-(2-oxopropyl)indole-2,3-dione
CID 62023105
5-bromo-1-[(5-chlorothiadiazol-4-yl)methyl]-7-methylindole-2,3-dione
CID 61357113
5-bromo-1-(2-methoxyethyl)-7-methylindole-2,3-dione
CID 61357129
5-bromo-7-methyl-1-[2-(methylamino)ethyl]indole-2,3-dione
CID 61388457
3-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)propanoic acid
CID 61355011
5,7-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione
CID 61355905
7-bromo-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
CID 61497077

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione?
The IUPAC name of 5-bromo-7-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione (CID 61355173) is 5-bromo-7-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-bromo-7-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione?
The canonical SMILES for 5-bromo-7-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione is Cc1nc(CN2C(=O)C(=O)c3cc(Br)cc(C)c32)no1.
What is the InChIKey of 5-bromo-7-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione?
The InChIKey is DTQBTOVGIAIHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O3/c1-6-3-8(14)4-9-11(6)17(13(19)12(9)18)5-10-15-7(2)20-16-10/h3-4H,5H2,1-2H3.
What are the key properties of 5-bromo-7-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione?
5-bromo-7-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione has a molecular weight of 336.15 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 61355173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).