5-ethylsulfonyl-2-naphthalen-1-yl-1,3-benzoxazole

C19H15NO3S — CID 53238599

IUPAC5-ethylsulfonyl-2-naphthalen-1-yl-1,3-benzoxazole
SMILESCCS(=O)(=O)c1ccc2oc(-c3cccc4ccccc34)nc2c1
InChIInChI=1S/C19H15NO3S/c1-2-24(21,22)14-10-11-18-17(12-14)20-19(23-18)16-9-5-7-13-6-3-4-8-15(13)16/h3-12H,2H2,1H3
InChIKeyWWXGEPXKUCBUAI-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.44
Rot. Bonds3

About 5-ethylsulfonyl-2-naphthalen-1-yl-1,3-benzoxazole

5-ethylsulfonyl-2-naphthalen-1-yl-1,3-benzoxazole (PubChem CID 53238599) has the molecular formula C19H15NO3S and a molecular weight of 337.40 g/mol. Its IUPAC name is 5-ethylsulfonyl-2-naphthalen-1-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-ethylsulfonyl-2-naphthalen-1-yl-1,3-benzoxazole
PubChem CID53238599
Molecular FormulaC19H15NO3S
Molecular Weight337.40 g/mol
Exact Mass337.08
IUPAC Name5-ethylsulfonyl-2-naphthalen-1-yl-1,3-benzoxazole
SMILESCCS(=O)(=O)c1ccc2oc(-c3cccc4ccccc34)nc2c1
InChIInChI=1S/C19H15NO3S/c1-2-24(21,22)14-10-11-18-17(12-14)20-19(23-18)16-9-5-7-13-6-3-4-8-15(13)16/h3-12H,2H2,1H3
InChIKeyWWXGEPXKUCBUAI-UHFFFAOYSA-N
XLogP4.44
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2-naphthalen-1-yl-1,3-benzoxazole?
The IUPAC name of 5-ethylsulfonyl-2-naphthalen-1-yl-1,3-benzoxazole (CID 53238599) is 5-ethylsulfonyl-2-naphthalen-1-yl-1,3-benzoxazole.
What is the SMILES notation for 5-ethylsulfonyl-2-naphthalen-1-yl-1,3-benzoxazole?
The canonical SMILES for 5-ethylsulfonyl-2-naphthalen-1-yl-1,3-benzoxazole is CCS(=O)(=O)c1ccc2oc(-c3cccc4ccccc34)nc2c1.
What is the InChIKey of 5-ethylsulfonyl-2-naphthalen-1-yl-1,3-benzoxazole?
The InChIKey is WWXGEPXKUCBUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3S/c1-2-24(21,22)14-10-11-18-17(12-14)20-19(23-18)16-9-5-7-13-6-3-4-8-15(13)16/h3-12H,2H2,1H3.
What are the key properties of 5-ethylsulfonyl-2-naphthalen-1-yl-1,3-benzoxazole?
5-ethylsulfonyl-2-naphthalen-1-yl-1,3-benzoxazole has a molecular weight of 337.40 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2-naphthalen-1-yl-1,3-benzoxazole is sourced from PubChem (CID 53238599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).