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

C14H12N2O3 — CID 82482484

IUPAC5-methyl-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
SMILESCc1[nH]c2ccccc2c1-c1nc(C(=O)O)c(C)o1
InChIInChI=1S/C14H12N2O3/c1-7-11(9-5-3-4-6-10(9)15-7)13-16-12(14(17)18)8(2)19-13/h3-6,15H,1-2H3,(H,17,18)
InChIKeyKCRFJWUAONAQCM-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.14
Rot. Bonds2

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

5-methyl-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 82482484) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-methyl-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID82482484
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name5-methyl-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
SMILESCc1[nH]c2ccccc2c1-c1nc(C(=O)O)c(C)o1
InChIInChI=1S/C14H12N2O3/c1-7-11(9-5-3-4-6-10(9)15-7)13-16-12(14(17)18)8(2)19-13/h3-6,15H,1-2H3,(H,17,18)
InChIKeyKCRFJWUAONAQCM-UHFFFAOYSA-N
XLogP3.14
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-1H-indol-3-yl)benzoic acid
CID 82039867
4-bromo-1-methyl-5-(2-methyl-1H-indol-3-yl)pyrazole-3-carboxylic acid
CID 136967005
2-(2-bromo-6-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 114560903
2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid
CID 62233000
1-[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]ethanone
CID 116901481
5-ethoxy-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole
CID 116864878
2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 4961939
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methyl-1H-indole-3-carboxylate
CID 99813436
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate
CID 94838240
2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]acetic acid
CID 82299158
4-amino-2-(2-methyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid
CID 82299159
6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one
CID 116900687

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid (CID 82482484) is 5-methyl-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid is Cc1[nH]c2ccccc2c1-c1nc(C(=O)O)c(C)o1.
What is the InChIKey of 5-methyl-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is KCRFJWUAONAQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-7-11(9-5-3-4-6-10(9)15-7)13-16-12(14(17)18)8(2)19-13/h3-6,15H,1-2H3,(H,17,18).
What are the key properties of 5-methyl-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid?
5-methyl-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 82482484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).