5-(cyclohexylsulfinylmethyl)-1,2-oxazole-3-carboxylic acid

C11H15NO4S — CID 61397853

IUPAC5-(cyclohexylsulfinylmethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CS(=O)C2CCCCC2)on1
InChIInChI=1S/C11H15NO4S/c13-11(14)10-6-8(16-12-10)7-17(15)9-4-2-1-3-5-9/h6,9H,1-5,7H2,(H,13,14)
InChIKeyOJBCLPSBBFUERF-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.95
Rot. Bonds4

About 5-(cyclohexylsulfinylmethyl)-1,2-oxazole-3-carboxylic acid

5-(cyclohexylsulfinylmethyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 61397853) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 5-(cyclohexylsulfinylmethyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclohexylsulfinylmethyl)-1,2-oxazole-3-carboxylic acid
PubChem CID61397853
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name5-(cyclohexylsulfinylmethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CS(=O)C2CCCCC2)on1
InChIInChI=1S/C11H15NO4S/c13-11(14)10-6-8(16-12-10)7-17(15)9-4-2-1-3-5-9/h6,9H,1-5,7H2,(H,13,14)
InChIKeyOJBCLPSBBFUERF-UHFFFAOYSA-N
XLogP1.95
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylsulfinylmethyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(cyclohexylsulfinylmethyl)-1,2-oxazole-3-carboxylic acid (CID 61397853) is 5-(cyclohexylsulfinylmethyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(cyclohexylsulfinylmethyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(cyclohexylsulfinylmethyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(CS(=O)C2CCCCC2)on1.
What is the InChIKey of 5-(cyclohexylsulfinylmethyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is OJBCLPSBBFUERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c13-11(14)10-6-8(16-12-10)7-17(15)9-4-2-1-3-5-9/h6,9H,1-5,7H2,(H,13,14).
What are the key properties of 5-(cyclohexylsulfinylmethyl)-1,2-oxazole-3-carboxylic acid?
5-(cyclohexylsulfinylmethyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 257.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylsulfinylmethyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 61397853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).