7-methyl-4H-indeno[2,1-d][1,2]oxazole-3-carboxylic acid

C12H9NO3 — CID 79020530

IUPAC7-methyl-4H-indeno[2,1-d][1,2]oxazole-3-carboxylic acid
SMILESCc1ccc2c(c1)-c1onc(C(=O)O)c1C2
InChIInChI=1S/C12H9NO3/c1-6-2-3-7-5-9-10(12(14)15)13-16-11(9)8(7)4-6/h2-4H,5H2,1H3,(H,14,15)
InChIKeyWESJWIXWJGRJQX-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.25
Rot. Bonds1

About 7-methyl-4H-indeno[2,1-d][1,2]oxazole-3-carboxylic acid

7-methyl-4H-indeno[2,1-d][1,2]oxazole-3-carboxylic acid (PubChem CID 79020530) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 7-methyl-4H-indeno[2,1-d][1,2]oxazole-3-carboxylic acid.

Molecular Properties

Compound Name7-methyl-4H-indeno[2,1-d][1,2]oxazole-3-carboxylic acid
PubChem CID79020530
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name7-methyl-4H-indeno[2,1-d][1,2]oxazole-3-carboxylic acid
SMILESCc1ccc2c(c1)-c1onc(C(=O)O)c1C2
InChIInChI=1S/C12H9NO3/c1-6-2-3-7-5-9-10(12(14)15)13-16-11(9)8(7)4-6/h2-4H,5H2,1H3,(H,14,15)
InChIKeyWESJWIXWJGRJQX-UHFFFAOYSA-N
XLogP2.25
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4H-indeno[2,1-d][1,2]oxazole-3-carboxylic acid?
The IUPAC name of 7-methyl-4H-indeno[2,1-d][1,2]oxazole-3-carboxylic acid (CID 79020530) is 7-methyl-4H-indeno[2,1-d][1,2]oxazole-3-carboxylic acid.
What is the SMILES notation for 7-methyl-4H-indeno[2,1-d][1,2]oxazole-3-carboxylic acid?
The canonical SMILES for 7-methyl-4H-indeno[2,1-d][1,2]oxazole-3-carboxylic acid is Cc1ccc2c(c1)-c1onc(C(=O)O)c1C2.
What is the InChIKey of 7-methyl-4H-indeno[2,1-d][1,2]oxazole-3-carboxylic acid?
The InChIKey is WESJWIXWJGRJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c1-6-2-3-7-5-9-10(12(14)15)13-16-11(9)8(7)4-6/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 7-methyl-4H-indeno[2,1-d][1,2]oxazole-3-carboxylic acid?
7-methyl-4H-indeno[2,1-d][1,2]oxazole-3-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4H-indeno[2,1-d][1,2]oxazole-3-carboxylic acid is sourced from PubChem (CID 79020530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).