5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1,2-oxazole-3-carboxylic acid

C14H12N2O4 — CID 117433246

IUPAC5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1,2-oxazole-3-carboxylic acid
SMILESCc1cc2c(c(-c3cc(C(=O)O)no3)c1C)NC(=O)C2
InChIInChI=1S/C14H12N2O4/c1-6-3-8-4-11(17)15-13(8)12(7(6)2)10-5-9(14(18)19)16-20-10/h3,5H,4H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyKBLOBNACJUJJTA-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.15
Rot. Bonds2

About 5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1,2-oxazole-3-carboxylic acid

5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117433246) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID117433246
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1,2-oxazole-3-carboxylic acid
SMILESCc1cc2c(c(-c3cc(C(=O)O)no3)c1C)NC(=O)C2
InChIInChI=1S/C14H12N2O4/c1-6-3-8-4-11(17)15-13(8)12(7(6)2)10-5-9(14(18)19)16-20-10/h3,5H,4H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyKBLOBNACJUJJTA-UHFFFAOYSA-N
XLogP2.15
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1,2-oxazole-3-carboxylic acid 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

5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1-methylpyrazole-3-carboxylic acid
CID 117459371
5-(3-hydroxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 136968291
5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117350000
5-(3-chloro-2,6-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117436840
5-(3-hydroxy-2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117337523
5-(2-hydroxy-3,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 137007313
5-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid
CID 136963383
5-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazole-3-carboxylic acid
CID 117485399
5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117411985
5-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 115111205
5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxylic acid
CID 91966328
5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid
CID 117435468

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1,2-oxazole-3-carboxylic acid (CID 117433246) is 5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1,2-oxazole-3-carboxylic acid is Cc1cc2c(c(-c3cc(C(=O)O)no3)c1C)NC(=O)C2.
What is the InChIKey of 5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is KBLOBNACJUJJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-6-3-8-4-11(17)15-13(8)12(7(6)2)10-5-9(14(18)19)16-20-10/h3,5H,4H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1,2-oxazole-3-carboxylic acid?
5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethyl-2-oxo-1,3-dihydroindol-7-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117433246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).