5-[(2-thiophen-2-ylimidazol-1-yl)methyl]oxolane-2-carboxylic acid

C13H14N2O3S — CID 62300468

IUPAC5-[(2-thiophen-2-ylimidazol-1-yl)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(Cn2ccnc2-c2cccs2)O1
InChIInChI=1S/C13H14N2O3S/c16-13(17)10-4-3-9(18-10)8-15-6-5-14-12(15)11-2-1-7-19-11/h1-2,5-7,9-10H,3-4,8H2,(H,16,17)
InChIKeyKNLMOLYKZVNDEO-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.24
Rot. Bonds4

About 5-[(2-thiophen-2-ylimidazol-1-yl)methyl]oxolane-2-carboxylic acid

5-[(2-thiophen-2-ylimidazol-1-yl)methyl]oxolane-2-carboxylic acid (PubChem CID 62300468) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-[(2-thiophen-2-ylimidazol-1-yl)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-thiophen-2-ylimidazol-1-yl)methyl]oxolane-2-carboxylic acid
PubChem CID62300468
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name5-[(2-thiophen-2-ylimidazol-1-yl)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(Cn2ccnc2-c2cccs2)O1
InChIInChI=1S/C13H14N2O3S/c16-13(17)10-4-3-9(18-10)8-15-6-5-14-12(15)11-2-1-7-19-11/h1-2,5-7,9-10H,3-4,8H2,(H,16,17)
InChIKeyKNLMOLYKZVNDEO-UHFFFAOYSA-N
XLogP2.24
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2-thiophen-2-ylimidazol-1-yl)methyl]oxolane-2-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-[(2-thiophen-2-ylimidazol-1-yl)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(2-thiophen-2-ylimidazol-1-yl)methyl]oxolane-2-carboxylic acid (CID 62300468) is 5-[(2-thiophen-2-ylimidazol-1-yl)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(2-thiophen-2-ylimidazol-1-yl)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(2-thiophen-2-ylimidazol-1-yl)methyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(Cn2ccnc2-c2cccs2)O1.
What is the InChIKey of 5-[(2-thiophen-2-ylimidazol-1-yl)methyl]oxolane-2-carboxylic acid?
The InChIKey is KNLMOLYKZVNDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c16-13(17)10-4-3-9(18-10)8-15-6-5-14-12(15)11-2-1-7-19-11/h1-2,5-7,9-10H,3-4,8H2,(H,16,17).
What are the key properties of 5-[(2-thiophen-2-ylimidazol-1-yl)methyl]oxolane-2-carboxylic acid?
5-[(2-thiophen-2-ylimidazol-1-yl)methyl]oxolane-2-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-thiophen-2-ylimidazol-1-yl)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 62300468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).