4-thieno[2,3-d][1,2]oxazol-3-ylcyclohexane-1-carboxylic acid

C12H13NO3S — CID 82382535

IUPAC4-thieno[2,3-d][1,2]oxazol-3-ylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2noc3ccsc23)CC1
InChIInChI=1S/C12H13NO3S/c14-12(15)8-3-1-7(2-4-8)10-11-9(16-13-10)5-6-17-11/h5-8H,1-4H2,(H,14,15)
InChIKeyLBELDKWGOPRFKL-UHFFFAOYSA-N
MW251.31 g/mol
LogP3.25
Rot. Bonds2

About 4-thieno[2,3-d][1,2]oxazol-3-ylcyclohexane-1-carboxylic acid

4-thieno[2,3-d][1,2]oxazol-3-ylcyclohexane-1-carboxylic acid (PubChem CID 82382535) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-thieno[2,3-d][1,2]oxazol-3-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-thieno[2,3-d][1,2]oxazol-3-ylcyclohexane-1-carboxylic acid
PubChem CID82382535
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name4-thieno[2,3-d][1,2]oxazol-3-ylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2noc3ccsc23)CC1
InChIInChI=1S/C12H13NO3S/c14-12(15)8-3-1-7(2-4-8)10-11-9(16-13-10)5-6-17-11/h5-8H,1-4H2,(H,14,15)
InChIKeyLBELDKWGOPRFKL-UHFFFAOYSA-N
XLogP3.25
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-thieno[2,3-d][1,2]oxazol-3-ylcyclohexane-1-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 4-thieno[2,3-d][1,2]oxazol-3-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-thieno[2,3-d][1,2]oxazol-3-ylcyclohexane-1-carboxylic acid (CID 82382535) is 4-thieno[2,3-d][1,2]oxazol-3-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-thieno[2,3-d][1,2]oxazol-3-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-thieno[2,3-d][1,2]oxazol-3-ylcyclohexane-1-carboxylic acid is O=C(O)C1CCC(c2noc3ccsc23)CC1.
What is the InChIKey of 4-thieno[2,3-d][1,2]oxazol-3-ylcyclohexane-1-carboxylic acid?
The InChIKey is LBELDKWGOPRFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c14-12(15)8-3-1-7(2-4-8)10-11-9(16-13-10)5-6-17-11/h5-8H,1-4H2,(H,14,15).
What are the key properties of 4-thieno[2,3-d][1,2]oxazol-3-ylcyclohexane-1-carboxylic acid?
4-thieno[2,3-d][1,2]oxazol-3-ylcyclohexane-1-carboxylic acid has a molecular weight of 251.31 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thieno[2,3-d][1,2]oxazol-3-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 82382535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).