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

C14H13N3O3 — CID 61354958

IUPAC4,6-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione
SMILESCc1cc(C)c2c(c1)N(Cc1nc(C)no1)C(=O)C2=O
InChIInChI=1S/C14H13N3O3/c1-7-4-8(2)12-10(5-7)17(14(19)13(12)18)6-11-15-9(3)16-20-11/h4-5H,6H2,1-3H3
InChIKeyXHZMLXSCDXVIEZ-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.72
Rot. Bonds2

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

4,6-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione (PubChem CID 61354958) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 4,6-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name4,6-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione
PubChem CID61354958
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name4,6-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione
SMILESCc1cc(C)c2c(c1)N(Cc1nc(C)no1)C(=O)C2=O
InChIInChI=1S/C14H13N3O3/c1-7-4-8(2)12-10(5-7)17(14(19)13(12)18)6-11-15-9(3)16-20-11/h4-5H,6H2,1-3H3
InChIKeyXHZMLXSCDXVIEZ-UHFFFAOYSA-N
XLogP1.72
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-6-carboxamide
CID 75521149
(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-3-carboxamide
CID 95900544
5-({[3-(1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}methyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 118784855
6-Fluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione
CID 28782849
6-Fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
CID 28782850
1-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-fluoroindole-2,3-dione
CID 28782859
5-Fluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione
CID 28782867
5-Fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
CID 28782868
1-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoroindole-2,3-dione
CID 28782875
5,7-Difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione
CID 61356641
5,7-Difluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
CID 61356642
1-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methyl]-5,7-difluoroindole-2,3-dione
CID 61356644

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione?
The IUPAC name of 4,6-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione (CID 61354958) is 4,6-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 4,6-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione?
The canonical SMILES for 4,6-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione is Cc1cc(C)c2c(c1)N(Cc1nc(C)no1)C(=O)C2=O.
What is the InChIKey of 4,6-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione?
The InChIKey is XHZMLXSCDXVIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-7-4-8(2)12-10(5-7)17(14(19)13(12)18)6-11-15-9(3)16-20-11/h4-5H,6H2,1-3H3.
What are the key properties of 4,6-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione?
4,6-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione has a molecular weight of 271.28 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 61354958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).