2,4-dimethyl-5H-1,3-oxazole-4-carboxylic acid

C6H9NO3 — CID 19981022

IUPAC2,4-dimethyl-5H-1,3-oxazole-4-carboxylic acid
SMILESCC1=NC(C)(C(=O)O)CO1
InChIInChI=1S/C6H9NO3/c1-4-7-6(2,3-10-4)5(8)9/h3H2,1-2H3,(H,8,9)
InChIKeyGGORFJNIUIEGSD-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.28
Rot. Bonds1

About 2,4-dimethyl-5H-1,3-oxazole-4-carboxylic acid

2,4-dimethyl-5H-1,3-oxazole-4-carboxylic acid (PubChem CID 19981022) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2,4-dimethyl-5H-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-5H-1,3-oxazole-4-carboxylic acid
PubChem CID19981022
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2,4-dimethyl-5H-1,3-oxazole-4-carboxylic acid
SMILESCC1=NC(C)(C(=O)O)CO1
InChIInChI=1S/C6H9NO3/c1-4-7-6(2,3-10-4)5(8)9/h3H2,1-2H3,(H,8,9)
InChIKeyGGORFJNIUIEGSD-UHFFFAOYSA-N
XLogP0.28
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5H-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2,4-dimethyl-5H-1,3-oxazole-4-carboxylic acid (CID 19981022) is 2,4-dimethyl-5H-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-5H-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-5H-1,3-oxazole-4-carboxylic acid is CC1=NC(C)(C(=O)O)CO1.
What is the InChIKey of 2,4-dimethyl-5H-1,3-oxazole-4-carboxylic acid?
The InChIKey is GGORFJNIUIEGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-4-7-6(2,3-10-4)5(8)9/h3H2,1-2H3,(H,8,9).
What are the key properties of 2,4-dimethyl-5H-1,3-oxazole-4-carboxylic acid?
2,4-dimethyl-5H-1,3-oxazole-4-carboxylic acid has a molecular weight of 143.14 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5H-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 19981022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).