2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylfuran-3-carboxylic acid

C11H13NO4 — CID 5324827

IUPAC2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylfuran-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C2=NC(C)(C)CO2)o1
InChIInChI=1S/C11H13NO4/c1-6-4-7(10(13)14)8(16-6)9-12-11(2,3)5-15-9/h4H,5H2,1-3H3,(H,13,14)
InChIKeyRDJWYEXMOVYZIN-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.84
Rot. Bonds2

About 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylfuran-3-carboxylic acid

2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylfuran-3-carboxylic acid (PubChem CID 5324827) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylfuran-3-carboxylic acid
PubChem CID5324827
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylfuran-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C2=NC(C)(C)CO2)o1
InChIInChI=1S/C11H13NO4/c1-6-4-7(10(13)14)8(16-6)9-12-11(2,3)5-15-9/h4H,5H2,1-3H3,(H,13,14)
InChIKeyRDJWYEXMOVYZIN-UHFFFAOYSA-N
XLogP1.84
TPSA72.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylfuran-3-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 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylfuran-3-carboxylic acid?
The IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylfuran-3-carboxylic acid (CID 5324827) is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylfuran-3-carboxylic acid.
What is the SMILES notation for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylfuran-3-carboxylic acid?
The canonical SMILES for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylfuran-3-carboxylic acid is Cc1cc(C(=O)O)c(C2=NC(C)(C)CO2)o1.
What is the InChIKey of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylfuran-3-carboxylic acid?
The InChIKey is RDJWYEXMOVYZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-6-4-7(10(13)14)8(16-6)9-12-11(2,3)5-15-9/h4H,5H2,1-3H3,(H,13,14).
What are the key properties of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylfuran-3-carboxylic acid?
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylfuran-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylfuran-3-carboxylic acid is sourced from PubChem (CID 5324827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).