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

C9H7NO4 — CID 75356060

IUPAC5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxylic acid
SMILESCc1ccc(-c2oncc2C(=O)O)o1
InChIInChI=1S/C9H7NO4/c1-5-2-3-7(13-5)8-6(9(11)12)4-10-14-8/h2-4H,1H3,(H,11,12)
InChIKeyODJQTSUIKPLRDH-UHFFFAOYSA-N
MW193.16 g/mol
LogP1.94
Rot. Bonds2

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

5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 75356060) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID75356060
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Name5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxylic acid
SMILESCc1ccc(-c2oncc2C(=O)O)o1
InChIInChI=1S/C9H7NO4/c1-5-2-3-7(13-5)8-6(9(11)12)4-10-14-8/h2-4H,1H3,(H,11,12)
InChIKeyODJQTSUIKPLRDH-UHFFFAOYSA-N
XLogP1.94
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxylic acid (CID 75356060) is 5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxylic acid is Cc1ccc(-c2oncc2C(=O)O)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is ODJQTSUIKPLRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4/c1-5-2-3-7(13-5)8-6(9(11)12)4-10-14-8/h2-4H,1H3,(H,11,12).
What are the key properties of 5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxylic acid?
5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 75356060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).