2-(oxolan-3-yl)-1,3-oxazole-4-carboxylic acid

C8H9NO4 — CID 62234864

IUPAC2-(oxolan-3-yl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(C2CCOC2)n1
InChIInChI=1S/C8H9NO4/c10-8(11)6-4-13-7(9-6)5-1-2-12-3-5/h4-5H,1-3H2,(H,10,11)
InChIKeyYOJOJTIGPQRFAJ-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.88
Rot. Bonds2

About 2-(oxolan-3-yl)-1,3-oxazole-4-carboxylic acid

2-(oxolan-3-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 62234864) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(oxolan-3-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID62234864
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2-(oxolan-3-yl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(C2CCOC2)n1
InChIInChI=1S/C8H9NO4/c10-8(11)6-4-13-7(9-6)5-1-2-12-3-5/h4-5H,1-3H2,(H,10,11)
InChIKeyYOJOJTIGPQRFAJ-UHFFFAOYSA-N
XLogP0.88
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(oxolan-3-yl)-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 2-(oxolan-3-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(oxolan-3-yl)-1,3-oxazole-4-carboxylic acid (CID 62234864) is 2-(oxolan-3-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(oxolan-3-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(oxolan-3-yl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(C2CCOC2)n1.
What is the InChIKey of 2-(oxolan-3-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is YOJOJTIGPQRFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c10-8(11)6-4-13-7(9-6)5-1-2-12-3-5/h4-5H,1-3H2,(H,10,11).
What are the key properties of 2-(oxolan-3-yl)-1,3-oxazole-4-carboxylic acid?
2-(oxolan-3-yl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 183.16 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 62234864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).