5-ethenyl-4-methyl-1,2-oxazole-3-carboxylic acid

C7H7NO3 — CID 118511030

IUPAC5-ethenyl-4-methyl-1,2-oxazole-3-carboxylic acid
SMILESC=Cc1onc(C(=O)O)c1C
InChIInChI=1S/C7H7NO3/c1-3-5-4(2)6(7(9)10)8-11-5/h3H,1H2,2H3,(H,9,10)
InChIKeyLGMUMFCMIJQXQS-UHFFFAOYSA-N
MW153.14 g/mol
LogP1.32
Rot. Bonds2

About 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylic acid

5-ethenyl-4-methyl-1,2-oxazole-3-carboxylic acid (PubChem CID 118511030) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-ethenyl-4-methyl-1,2-oxazole-3-carboxylic acid
PubChem CID118511030
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name5-ethenyl-4-methyl-1,2-oxazole-3-carboxylic acid
SMILESC=Cc1onc(C(=O)O)c1C
InChIInChI=1S/C7H7NO3/c1-3-5-4(2)6(7(9)10)8-11-5/h3H,1H2,2H3,(H,9,10)
InChIKeyLGMUMFCMIJQXQS-UHFFFAOYSA-N
XLogP1.32
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylic acid (CID 118511030) is 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylic acid is C=Cc1onc(C(=O)O)c1C.
What is the InChIKey of 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylic acid?
The InChIKey is LGMUMFCMIJQXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-3-5-4(2)6(7(9)10)8-11-5/h3H,1H2,2H3,(H,9,10).
What are the key properties of 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylic acid?
5-ethenyl-4-methyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 118511030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).