5-ethylsulfonyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole

C17H15NO3S — CID 25211223

IUPAC5-ethylsulfonyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole
SMILESCCS(=O)(=O)c1ccc2oc(/C=C/c3ccccc3)nc2c1
InChIInChI=1S/C17H15NO3S/c1-2-22(19,20)14-9-10-16-15(12-14)18-17(21-16)11-8-13-6-4-3-5-7-13/h3-12H,2H2,1H3/b11-8+
InChIKeyDBNYISJQNBWKDZ-DHZHZOJOSA-N
MW313.38 g/mol
LogP3.79
Rot. Bonds4

About 5-ethylsulfonyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole

5-ethylsulfonyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole (PubChem CID 25211223) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-ethylsulfonyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-ethylsulfonyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole
PubChem CID25211223
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name5-ethylsulfonyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole
SMILESCCS(=O)(=O)c1ccc2oc(/C=C/c3ccccc3)nc2c1
InChIInChI=1S/C17H15NO3S/c1-2-22(19,20)14-9-10-16-15(12-14)18-17(21-16)11-8-13-6-4-3-5-7-13/h3-12H,2H2,1H3/b11-8+
InChIKeyDBNYISJQNBWKDZ-DHZHZOJOSA-N
XLogP3.79
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole?
The IUPAC name of 5-ethylsulfonyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole (CID 25211223) is 5-ethylsulfonyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole.
What is the SMILES notation for 5-ethylsulfonyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole?
The canonical SMILES for 5-ethylsulfonyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole is CCS(=O)(=O)c1ccc2oc(/C=C/c3ccccc3)nc2c1.
What is the InChIKey of 5-ethylsulfonyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole?
The InChIKey is DBNYISJQNBWKDZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-2-22(19,20)14-9-10-16-15(12-14)18-17(21-16)11-8-13-6-4-3-5-7-13/h3-12H,2H2,1H3/b11-8+.
What are the key properties of 5-ethylsulfonyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole?
5-ethylsulfonyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole has a molecular weight of 313.38 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole is sourced from PubChem (CID 25211223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).