5-ethylsulfonyl-2-methyl-1,3-benzoxazole

C10H11NO3S — CID 4797624

IUPAC5-ethylsulfonyl-2-methyl-1,3-benzoxazole
SMILESCCS(=O)(=O)c1ccc2oc(C)nc2c1
InChIInChI=1S/C10H11NO3S/c1-3-15(12,13)8-4-5-10-9(6-8)11-7(2)14-10/h4-6H,3H2,1-2H3
InChIKeyDJIFOKJAFXGMGY-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.93
Rot. Bonds2

About 5-ethylsulfonyl-2-methyl-1,3-benzoxazole

5-ethylsulfonyl-2-methyl-1,3-benzoxazole (PubChem CID 4797624) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 5-ethylsulfonyl-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-ethylsulfonyl-2-methyl-1,3-benzoxazole
PubChem CID4797624
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name5-ethylsulfonyl-2-methyl-1,3-benzoxazole
SMILESCCS(=O)(=O)c1ccc2oc(C)nc2c1
InChIInChI=1S/C10H11NO3S/c1-3-15(12,13)8-4-5-10-9(6-8)11-7(2)14-10/h4-6H,3H2,1-2H3
InChIKeyDJIFOKJAFXGMGY-UHFFFAOYSA-N
XLogP1.93
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2-methyl-1,3-benzoxazole?
The IUPAC name of 5-ethylsulfonyl-2-methyl-1,3-benzoxazole (CID 4797624) is 5-ethylsulfonyl-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 5-ethylsulfonyl-2-methyl-1,3-benzoxazole?
The canonical SMILES for 5-ethylsulfonyl-2-methyl-1,3-benzoxazole is CCS(=O)(=O)c1ccc2oc(C)nc2c1.
What is the InChIKey of 5-ethylsulfonyl-2-methyl-1,3-benzoxazole?
The InChIKey is DJIFOKJAFXGMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-3-15(12,13)8-4-5-10-9(6-8)11-7(2)14-10/h4-6H,3H2,1-2H3.
What are the key properties of 5-ethylsulfonyl-2-methyl-1,3-benzoxazole?
5-ethylsulfonyl-2-methyl-1,3-benzoxazole has a molecular weight of 225.27 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 4797624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).