4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-5-carboxylic acid

C13H10N2O4 — CID 82300289

IUPAC4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-5-carboxylic acid
SMILESCN1C(=O)Cc2cc(-c3ncoc3C(=O)O)ccc21
InChIInChI=1S/C13H10N2O4/c1-15-9-3-2-7(4-8(9)5-10(15)16)11-12(13(17)18)19-6-14-11/h2-4,6H,5H2,1H3,(H,17,18)
InChIKeyCICCQUMWQOOEQD-UHFFFAOYSA-N
MW258.23 g/mol
LogP1.56
Rot. Bonds2

About 4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-5-carboxylic acid

4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-5-carboxylic acid (PubChem CID 82300289) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-5-carboxylic acid
PubChem CID82300289
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-5-carboxylic acid
SMILESCN1C(=O)Cc2cc(-c3ncoc3C(=O)O)ccc21
InChIInChI=1S/C13H10N2O4/c1-15-9-3-2-7(4-8(9)5-10(15)16)11-12(13(17)18)19-6-14-11/h2-4,6H,5H2,1H3,(H,17,18)
InChIKeyCICCQUMWQOOEQD-UHFFFAOYSA-N
XLogP1.56
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(1-methyl-2-oxo-3H-indol-5-yl)-1H-imidazole-5-carboxylic acid
CID 82306063
4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid
CID 82488719
5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid
CID 82488432
4-bromo-5-(1-methyl-2-oxo-3H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 116858067
4-(1-methyl-2-oxo-3H-indol-5-yl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid
CID 82488652
N,N-dimethyl-5-(1-methyl-2-oxo-3H-indol-5-yl)pyridine-3-carboxamide
CID 66793912
5-(4-acetyl-1,2-oxazol-5-yl)-1-methyl-3H-indol-2-one
CID 82299502
5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one
CID 116884391
5-[2-(hydroxymethyl)pyrimidin-4-yl]-1-methyl-3H-indol-2-one
CID 116899433
3-(1-methyl-2-oxo-3H-indol-5-yl)-1-prop-2-enylpyrazole-5-carboxylic acid
CID 82308194
5-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methyl-3H-indol-2-one
CID 116856852
1-methyl-5-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)-3H-indol-2-one
CID 82356282

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-5-carboxylic acid (CID 82300289) is 4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-5-carboxylic acid is CN1C(=O)Cc2cc(-c3ncoc3C(=O)O)ccc21.
What is the InChIKey of 4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is CICCQUMWQOOEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c1-15-9-3-2-7(4-8(9)5-10(15)16)11-12(13(17)18)19-6-14-11/h2-4,6H,5H2,1H3,(H,17,18).
What are the key properties of 4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-5-carboxylic acid?
4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 258.23 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 82300289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).