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

C8H6N2O4 — CID 131400101

IUPAC5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid
SMILESCc1cc(-c2oncc2C(=O)O)no1
InChIInChI=1S/C8H6N2O4/c1-4-2-6(10-13-4)7-5(8(11)12)3-9-14-7/h2-3H,1H3,(H,11,12)
InChIKeyWRBYTRLMESWPMK-UHFFFAOYSA-N
MW194.15 g/mol
LogP1.34
Rot. Bonds2

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

5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 131400101) has the molecular formula C8H6N2O4 and a molecular weight of 194.15 g/mol. Its IUPAC name is 5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID131400101
Molecular FormulaC8H6N2O4
Molecular Weight194.15 g/mol
Exact Mass194.03
IUPAC Name5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid
SMILESCc1cc(-c2oncc2C(=O)O)no1
InChIInChI=1S/C8H6N2O4/c1-4-2-6(10-13-4)7-5(8(11)12)3-9-14-7/h2-3H,1H3,(H,11,12)
InChIKeyWRBYTRLMESWPMK-UHFFFAOYSA-N
XLogP1.34
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid (CID 131400101) is 5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid is Cc1cc(-c2oncc2C(=O)O)no1.
What is the InChIKey of 5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is WRBYTRLMESWPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4/c1-4-2-6(10-13-4)7-5(8(11)12)3-9-14-7/h2-3H,1H3,(H,11,12).
What are the key properties of 5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid?
5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 194.15 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 131400101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).