2-benzylsulfonyl-1,3-oxazole

C10H9NO3S — CID 67022788

IUPAC2-benzylsulfonyl-1,3-oxazole
SMILESO=S(=O)(Cc1ccccc1)c1ncco1
InChIInChI=1S/C10H9NO3S/c12-15(13,10-11-6-7-14-10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyNCBVPMWZUJJLHB-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.65
Rot. Bonds3

About 2-benzylsulfonyl-1,3-oxazole

2-benzylsulfonyl-1,3-oxazole (PubChem CID 67022788) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-benzylsulfonyl-1,3-oxazole.

Molecular Properties

Compound Name2-benzylsulfonyl-1,3-oxazole
PubChem CID67022788
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name2-benzylsulfonyl-1,3-oxazole
SMILESO=S(=O)(Cc1ccccc1)c1ncco1
InChIInChI=1S/C10H9NO3S/c12-15(13,10-11-6-7-14-10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyNCBVPMWZUJJLHB-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 2-benzylsulfonyl-1,3-oxazole?
The IUPAC name of 2-benzylsulfonyl-1,3-oxazole (CID 67022788) is 2-benzylsulfonyl-1,3-oxazole.
What is the SMILES notation for 2-benzylsulfonyl-1,3-oxazole?
The canonical SMILES for 2-benzylsulfonyl-1,3-oxazole is O=S(=O)(Cc1ccccc1)c1ncco1.
What is the InChIKey of 2-benzylsulfonyl-1,3-oxazole?
The InChIKey is NCBVPMWZUJJLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c12-15(13,10-11-6-7-14-10)8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-benzylsulfonyl-1,3-oxazole?
2-benzylsulfonyl-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 2-benzylsulfonyl-1,3-oxazole is sourced from PubChem (CID 67022788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).