7-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione

C14H12N2O3 — CID 61147506

IUPAC7-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione
SMILESCc1cc(CN2C(=O)C(=O)c3cccc(C)c32)on1
InChIInChI=1S/C14H12N2O3/c1-8-4-3-5-11-12(8)16(14(18)13(11)17)7-10-6-9(2)15-19-10/h3-6H,7H2,1-2H3
InChIKeyXRGNDIHPXURREF-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.02
Rot. Bonds2

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

7-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione (PubChem CID 61147506) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 7-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name7-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione
PubChem CID61147506
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name7-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione
SMILESCc1cc(CN2C(=O)C(=O)c3cccc(C)c32)on1
InChIInChI=1S/C14H12N2O3/c1-8-4-3-5-11-12(8)16(14(18)13(11)17)7-10-6-9(2)15-19-10/h3-6H,7H2,1-2H3
InChIKeyXRGNDIHPXURREF-UHFFFAOYSA-N
XLogP2.02
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

5,7-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione
CID 61356229
5-[(7-methyl-2,3-dioxoindol-1-yl)methyl]thiophene-2-carboxylic acid
CID 63377973
1-[(2-bromophenyl)methyl]-7-methylindole-2,3-dione
CID 61146245
1-[(3-fluorophenyl)methyl]-7-methylindole-2,3-dione
CID 61146711
3-[(7-methyl-2,3-dioxoindol-1-yl)methyl]benzonitrile
CID 61146244
2-(7-methyl-2,3-dioxoindol-1-yl)acetonitrile
CID 4730287
1-(2-methoxyethyl)-7-methylindole-2,3-dione
CID 61146079
1-(3-aminopropyl)-7-methylindole-2,3-dione
CID 84622799
7-methyl-1-(2-oxobutyl)indole-2,3-dione
CID 62039974
7-methyl-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione
CID 66153029
3-(7-methyl-2,3-dioxoindol-1-yl)propanoic acid
CID 61146875
7-methyl-1-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione
CID 18870517

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione?
The IUPAC name of 7-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione (CID 61147506) is 7-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 7-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione?
The canonical SMILES for 7-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione is Cc1cc(CN2C(=O)C(=O)c3cccc(C)c32)on1.
What is the InChIKey of 7-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione?
The InChIKey is XRGNDIHPXURREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-8-4-3-5-11-12(8)16(14(18)13(11)17)7-10-6-9(2)15-19-10/h3-6H,7H2,1-2H3.
What are the key properties of 7-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione?
7-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione has a molecular weight of 256.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 61147506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).