5-(5-methoxy-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid

C14H12N2O4 — CID 115109391

IUPAC5-(5-methoxy-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc2c(c1)cc(-c1oncc1C(=O)O)n2C
InChIInChI=1S/C14H12N2O4/c1-16-11-4-3-9(19-2)5-8(11)6-12(16)13-10(14(17)18)7-15-20-13/h3-7H,1-2H3,(H,17,18)
InChIKeySINZNPJNLCBPDK-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.54
Rot. Bonds3

About 5-(5-methoxy-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid

5-(5-methoxy-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 115109391) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-(5-methoxy-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(5-methoxy-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID115109391
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name5-(5-methoxy-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc2c(c1)cc(-c1oncc1C(=O)O)n2C
InChIInChI=1S/C14H12N2O4/c1-16-11-4-3-9(19-2)5-8(11)6-12(16)13-10(14(17)18)7-15-20-13/h3-7H,1-2H3,(H,17,18)
InChIKeySINZNPJNLCBPDK-UHFFFAOYSA-N
XLogP2.54
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(6-chloro-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid
CID 115109327
3-(5-methoxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 115107842
5-(5-methoxy-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid
CID 115110214
5-(6-methoxy-1-methylindol-2-yl)-1,2-oxazole-3-carboxylic acid
CID 115108015
5-(5-methoxy-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 136986316
5-(5-hydroxy-1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 115109089
5-methoxy-1,2-benzoxazole-7-carboxylic acid
CID 117109911
5-(5-fluoro-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82291793
5-(3-chloro-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82298585
5-(5-bromo-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82308210
5-(5-methoxy-1-methylindol-3-yl)-1,2-oxazol-4-amine
CID 115109081
5-(3-ethyl-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82295690

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(5-methoxy-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid (CID 115109391) is 5-(5-methoxy-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(5-methoxy-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(5-methoxy-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid is COc1ccc2c(c1)cc(-c1oncc1C(=O)O)n2C.
What is the InChIKey of 5-(5-methoxy-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is SINZNPJNLCBPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-16-11-4-3-9(19-2)5-8(11)6-12(16)13-10(14(17)18)7-15-20-13/h3-7H,1-2H3,(H,17,18).
What are the key properties of 5-(5-methoxy-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid?
5-(5-methoxy-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 115109391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).