2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid

C8H10N2O4 — CID 153293966

IUPAC2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESCC1=NC(C2=NC(C(=O)O)CO2)CO1
InChIInChI=1S/C8H10N2O4/c1-4-9-5(2-13-4)7-10-6(3-14-7)8(11)12/h5-6H,2-3H2,1H3,(H,11,12)
InChIKeyPVGXINOONVAJMJ-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.31
Rot. Bonds2

About 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid

2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid (PubChem CID 153293966) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
PubChem CID153293966
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESCC1=NC(C2=NC(C(=O)O)CO2)CO1
InChIInChI=1S/C8H10N2O4/c1-4-9-5(2-13-4)7-10-6(3-14-7)8(11)12/h5-6H,2-3H2,1H3,(H,11,12)
InChIKeyPVGXINOONVAJMJ-UHFFFAOYSA-N
XLogP-0.31
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-4,5-dihydro-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-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid (CID 153293966) is 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid is CC1=NC(C2=NC(C(=O)O)CO2)CO1.
What is the InChIKey of 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The InChIKey is PVGXINOONVAJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-4-9-5(2-13-4)7-10-6(3-14-7)8(11)12/h5-6H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid has a molecular weight of 198.18 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 153293966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).