4-cyclopropyl-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylic acid

C11H15NO5S — CID 114374176

IUPAC4-cyclopropyl-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylic acid
SMILESCC(C)(c1nc(C2CC2)c(C(=O)O)o1)S(C)(=O)=O
InChIInChI=1S/C11H15NO5S/c1-11(2,18(3,15)16)10-12-7(6-4-5-6)8(17-10)9(13)14/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyHFOHBXLIJHIJNN-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.53
Rot. Bonds4

About 4-cyclopropyl-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylic acid

4-cyclopropyl-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylic acid (PubChem CID 114374176) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-cyclopropyl-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylic acid
PubChem CID114374176
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name4-cyclopropyl-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylic acid
SMILESCC(C)(c1nc(C2CC2)c(C(=O)O)o1)S(C)(=O)=O
InChIInChI=1S/C11H15NO5S/c1-11(2,18(3,15)16)10-12-7(6-4-5-6)8(17-10)9(13)14/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyHFOHBXLIJHIJNN-UHFFFAOYSA-N
XLogP1.53
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyclopropyl-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-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

Related Compounds

4-cyclopropyl-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid
CID 114374240
2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374227
4-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 115051291
2-tert-butyl-4-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid
CID 115043050
4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 82400587
4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylic acid
CID 125454593
4-cyclopropyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazole-5-carboxylic acid
CID 103311248
4-(thiolan-3-yl)-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 115049712
4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid
CID 114374125
ethyl 4-cyclopropyl-2-(2-methylbutan-2-yl)-1,3-oxazole-5-carboxylate
CID 114372274
4-cyclopropyl-5-methyl-1,3-oxazole-2-carboxylic acid
CID 105433312
4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid
CID 114374304

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylic acid (CID 114374176) is 4-cyclopropyl-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylic acid is CC(C)(c1nc(C2CC2)c(C(=O)O)o1)S(C)(=O)=O.
What is the InChIKey of 4-cyclopropyl-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is HFOHBXLIJHIJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-11(2,18(3,15)16)10-12-7(6-4-5-6)8(17-10)9(13)14/h6H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 4-cyclopropyl-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylic acid?
4-cyclopropyl-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114374176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).