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

C9H13NO4 — CID 83619738

IUPAC5-methyl-2-(2-methylpropoxy)-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(OCC(C)C)nc1C(=O)O
InChIInChI=1S/C9H13NO4/c1-5(2)4-13-9-10-7(8(11)12)6(3)14-9/h5H,4H2,1-3H3,(H,11,12)
InChIKeyBCTWMUVTEMLYSD-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.72
Rot. Bonds4

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

5-methyl-2-(2-methylpropoxy)-1,3-oxazole-4-carboxylic acid (PubChem CID 83619738) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-methyl-2-(2-methylpropoxy)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(2-methylpropoxy)-1,3-oxazole-4-carboxylic acid
PubChem CID83619738
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name5-methyl-2-(2-methylpropoxy)-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(OCC(C)C)nc1C(=O)O
InChIInChI=1S/C9H13NO4/c1-5(2)4-13-9-10-7(8(11)12)6(3)14-9/h5H,4H2,1-3H3,(H,11,12)
InChIKeyBCTWMUVTEMLYSD-UHFFFAOYSA-N
XLogP1.72
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-(2-methylpropoxy)-1,3-oxazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylpropoxy)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-(2-methylpropoxy)-1,3-oxazole-4-carboxylic acid (CID 83619738) is 5-methyl-2-(2-methylpropoxy)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(2-methylpropoxy)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-(2-methylpropoxy)-1,3-oxazole-4-carboxylic acid is Cc1oc(OCC(C)C)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-(2-methylpropoxy)-1,3-oxazole-4-carboxylic acid?
The InChIKey is BCTWMUVTEMLYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-5(2)4-13-9-10-7(8(11)12)6(3)14-9/h5H,4H2,1-3H3,(H,11,12).
What are the key properties of 5-methyl-2-(2-methylpropoxy)-1,3-oxazole-4-carboxylic acid?
5-methyl-2-(2-methylpropoxy)-1,3-oxazole-4-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylpropoxy)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 83619738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).