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

C15H14N2O3 — CID 82488144

IUPAC2-(1,2-dimethylindol-3-yl)-4-methyl-1,3-oxazole-5-carboxylic acid
SMILESCc1nc(-c2c(C)n(C)c3ccccc23)oc1C(=O)O
InChIInChI=1S/C15H14N2O3/c1-8-13(15(18)19)20-14(16-8)12-9(2)17(3)11-7-5-4-6-10(11)12/h4-7H,1-3H3,(H,18,19)
InChIKeySLQRHKYVSFJTHA-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.15
Rot. Bonds2

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

2-(1,2-dimethylindol-3-yl)-4-methyl-1,3-oxazole-5-carboxylic acid (PubChem CID 82488144) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-4-methyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-4-methyl-1,3-oxazole-5-carboxylic acid
PubChem CID82488144
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-(1,2-dimethylindol-3-yl)-4-methyl-1,3-oxazole-5-carboxylic acid
SMILESCc1nc(-c2c(C)n(C)c3ccccc23)oc1C(=O)O
InChIInChI=1S/C15H14N2O3/c1-8-13(15(18)19)20-14(16-8)12-9(2)17(3)11-7-5-4-6-10(11)12/h4-7H,1-3H3,(H,18,19)
InChIKeySLQRHKYVSFJTHA-UHFFFAOYSA-N
XLogP3.15
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2-dimethylindol-3-yl)-1,3-oxazole-5-carboxylic acid
CID 82299508
5-(1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 82299507
5-(1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 82299165
3,4-bis(1,2-dimethylindol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480670
4-methyl-2-(1-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid
CID 103123488
4-(1,2-dimethylindol-3-yl)phenol
CID 82039937
2-[2-(1,2-dimethylindol-3-yl)-1,3-oxazol-4-yl]ethanamine
CID 82482255
[2-(1,2-dimethylindol-3-yl)phenyl]methanol
CID 143270609
5-(1,2-dimethylindol-3-yl)-1,3-oxazol-2-amine
CID 82287964
1-(2-methylpyrazol-3-yl)indole-3-carboxylic acid
CID 152744497
4-amino-2,9-dimethylpyrido[2,3-b]indole-3-carboxylic acid
CID 15154321
3-[1-(benzenesulfonyl)imidazol-2-yl]-1,2-dimethylindole
CID 110535784

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)-4-methyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-4-methyl-1,3-oxazole-5-carboxylic acid (CID 82488144) is 2-(1,2-dimethylindol-3-yl)-4-methyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-4-methyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-4-methyl-1,3-oxazole-5-carboxylic acid is Cc1nc(-c2c(C)n(C)c3ccccc23)oc1C(=O)O.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-4-methyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is SLQRHKYVSFJTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-8-13(15(18)19)20-14(16-8)12-9(2)17(3)11-7-5-4-6-10(11)12/h4-7H,1-3H3,(H,18,19).
What are the key properties of 2-(1,2-dimethylindol-3-yl)-4-methyl-1,3-oxazole-5-carboxylic acid?
2-(1,2-dimethylindol-3-yl)-4-methyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-3-yl)-4-methyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 82488144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).