5-(benzenesulfonylmethyl)-1,3-oxazole

C10H9NO3S — CID 24977810

IUPAC5-(benzenesulfonylmethyl)-1,3-oxazole
SMILESO=S(=O)(Cc1cnco1)c1ccccc1
InChIInChI=1S/C10H9NO3S/c12-15(13,7-9-6-11-8-14-9)10-4-2-1-3-5-10/h1-6,8H,7H2
InChIKeyNOKTYFLKXIVQAK-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.65
Rot. Bonds3

About 5-(benzenesulfonylmethyl)-1,3-oxazole

5-(benzenesulfonylmethyl)-1,3-oxazole (PubChem CID 24977810) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-1,3-oxazole
PubChem CID24977810
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name5-(benzenesulfonylmethyl)-1,3-oxazole
SMILESO=S(=O)(Cc1cnco1)c1ccccc1
InChIInChI=1S/C10H9NO3S/c12-15(13,7-9-6-11-8-14-9)10-4-2-1-3-5-10/h1-6,8H,7H2
InChIKeyNOKTYFLKXIVQAK-UHFFFAOYSA-N
XLogP1.65
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-1,3-oxazole?
The IUPAC name of 5-(benzenesulfonylmethyl)-1,3-oxazole (CID 24977810) is 5-(benzenesulfonylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-1,3-oxazole?
The canonical SMILES for 5-(benzenesulfonylmethyl)-1,3-oxazole is O=S(=O)(Cc1cnco1)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-1,3-oxazole?
The InChIKey is NOKTYFLKXIVQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c12-15(13,7-9-6-11-8-14-9)10-4-2-1-3-5-10/h1-6,8H,7H2.
What are the key properties of 5-(benzenesulfonylmethyl)-1,3-oxazole?
5-(benzenesulfonylmethyl)-1,3-oxazole has a molecular weight of 223.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-1,3-oxazole is sourced from PubChem (CID 24977810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).