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

C14H12N2O4 — CID 136986316

IUPAC5-(5-methoxy-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc2[nH]c(C)c(-c3oncc3C(=O)O)c2c1
InChIInChI=1S/C14H12N2O4/c1-7-12(13-10(14(17)18)6-15-20-13)9-5-8(19-2)3-4-11(9)16-7/h3-6,16H,1-2H3,(H,17,18)
InChIKeyUXNOUABPCWNHSV-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.84
Rot. Bonds3

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

5-(5-methoxy-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 136986316) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-(5-methoxy-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(5-methoxy-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID136986316
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name5-(5-methoxy-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc2[nH]c(C)c(-c3oncc3C(=O)O)c2c1
InChIInChI=1S/C14H12N2O4/c1-7-12(13-10(14(17)18)6-15-20-13)9-5-8(19-2)3-4-11(9)16-7/h3-6,16H,1-2H3,(H,17,18)
InChIKeyUXNOUABPCWNHSV-UHFFFAOYSA-N
XLogP2.84
TPSA88.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-methoxy-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid
CID 136986331
1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
5-(4-chloro-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 136986361
5-methoxy-2-methyl-3-phenyl-1H-indole
CID 11564934
methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 76852322
5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 6919949
2-(5-methoxy-2-methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione
CID 175479256
5-(5-methoxy-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid
CID 115109391
5-methoxy-N,N,2-trimethyl-1H-indole-3-carboxamide
CID 65335449
2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoacetyl chloride
CID 11218944
3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one
CID 139937848
2-bromo-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 69315136

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(5-methoxy-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid (CID 136986316) is 5-(5-methoxy-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(5-methoxy-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(5-methoxy-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid is COc1ccc2[nH]c(C)c(-c3oncc3C(=O)O)c2c1.
What is the InChIKey of 5-(5-methoxy-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is UXNOUABPCWNHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-7-12(13-10(14(17)18)6-15-20-13)9-5-8(19-2)3-4-11(9)16-7/h3-6,16H,1-2H3,(H,17,18).
What are the key properties of 5-(5-methoxy-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid?
5-(5-methoxy-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 136986316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).