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

C13H10N2O3 — CID 82373555

IUPAC4-(1H-indol-3-yl)-3-methyl-1,2-oxazole-5-carboxylic acid
SMILESCc1noc(C(=O)O)c1-c1c[nH]c2ccccc12
InChIInChI=1S/C13H10N2O3/c1-7-11(12(13(16)17)18-15-7)9-6-14-10-5-3-2-4-8(9)10/h2-6,14H,1H3,(H,16,17)
InChIKeyDCROYRFUWGYPHL-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.83
Rot. Bonds2

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

4-(1H-indol-3-yl)-3-methyl-1,2-oxazole-5-carboxylic acid (PubChem CID 82373555) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-3-methyl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-3-methyl-1,2-oxazole-5-carboxylic acid
PubChem CID82373555
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name4-(1H-indol-3-yl)-3-methyl-1,2-oxazole-5-carboxylic acid
SMILESCc1noc(C(=O)O)c1-c1c[nH]c2ccccc12
InChIInChI=1S/C13H10N2O3/c1-7-11(12(13(16)17)18-15-7)9-6-14-10-5-3-2-4-8(9)10/h2-6,14H,1H3,(H,16,17)
InChIKeyDCROYRFUWGYPHL-UHFFFAOYSA-N
XLogP2.83
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(1H-indol-3-yl)-5-methylthiophene-3-carboxylic acid
CID 82488540
4-(1H-indol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 82487831
4-(1H-indol-3-yl)-1H-imidazole-5-carboxylic acid
CID 82287914
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol
CID 91429863
2-(2-bromophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 166521283
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)propanamide;hydrochloride
CID 154914165
6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid
CID 82388103
2-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 86048852
2-[1-(dimethylamino)-3-methylbutyl]-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 157180375
ethyl 3-methyl-4-phenyl-1,2-oxazole-5-carboxylate
CID 14957307
2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
CID 15354514
2-(1H-indol-3-yl)-5-methyl-1,3,4-oxadiazole
CID 135876288

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-3-methyl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 4-(1H-indol-3-yl)-3-methyl-1,2-oxazole-5-carboxylic acid (CID 82373555) is 4-(1H-indol-3-yl)-3-methyl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-(1H-indol-3-yl)-3-methyl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 4-(1H-indol-3-yl)-3-methyl-1,2-oxazole-5-carboxylic acid is Cc1noc(C(=O)O)c1-c1c[nH]c2ccccc12.
What is the InChIKey of 4-(1H-indol-3-yl)-3-methyl-1,2-oxazole-5-carboxylic acid?
The InChIKey is DCROYRFUWGYPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-7-11(12(13(16)17)18-15-7)9-6-14-10-5-3-2-4-8(9)10/h2-6,14H,1H3,(H,16,17).
What are the key properties of 4-(1H-indol-3-yl)-3-methyl-1,2-oxazole-5-carboxylic acid?
4-(1H-indol-3-yl)-3-methyl-1,2-oxazole-5-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-3-methyl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 82373555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).