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

C10H13NO5S — CID 114374240

IUPAC4-cyclopropyl-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid
SMILESCC(c1nc(C2CC2)c(C(=O)O)o1)S(C)(=O)=O
InChIInChI=1S/C10H13NO5S/c1-5(17(2,14)15)9-11-7(6-3-4-6)8(16-9)10(12)13/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyJGGKOZUUZISQFW-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.36
Rot. Bonds4

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

4-cyclopropyl-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 114374240) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is 4-cyclopropyl-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID114374240
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Name4-cyclopropyl-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid
SMILESCC(c1nc(C2CC2)c(C(=O)O)o1)S(C)(=O)=O
InChIInChI=1S/C10H13NO5S/c1-5(17(2,14)15)9-11-7(6-3-4-6)8(16-9)10(12)13/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyJGGKOZUUZISQFW-UHFFFAOYSA-N
XLogP1.36
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 82400587
4-cyclopropyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazole-5-carboxylic acid
CID 103311248
4-cyclopropyl-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylic acid
CID 114374176
2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374227
4-(2-methylpropyl)-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid
CID 114374651
4-cyclopropyl-2-[methoxy(phenyl)methyl]-1,3-oxazole-5-carboxylic acid
CID 114374260
4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid
CID 114374125
4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylic acid
CID 125454593
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
2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374511
methyl 4-tert-butyl-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylate
CID 114370859

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid (CID 114374240) is 4-cyclopropyl-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid is CC(c1nc(C2CC2)c(C(=O)O)o1)S(C)(=O)=O.
What is the InChIKey of 4-cyclopropyl-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is JGGKOZUUZISQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-5(17(2,14)15)9-11-7(6-3-4-6)8(16-9)10(12)13/h5-6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 4-cyclopropyl-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid?
4-cyclopropyl-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 259.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114374240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).