5-ethyl-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole

C18H17NO3S — CID 59810471

IUPAC5-ethyl-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole
SMILESCCc1onc(-c2ccccc2)c1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H17NO3S/c1-3-16-17(13-9-11-15(12-10-13)23(2,20)21)18(19-22-16)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyWNVGFLPZMZKQIN-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.97
Rot. Bonds4

About 5-ethyl-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole

5-ethyl-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole (PubChem CID 59810471) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 5-ethyl-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-ethyl-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole
PubChem CID59810471
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name5-ethyl-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole
SMILESCCc1onc(-c2ccccc2)c1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H17NO3S/c1-3-16-17(13-9-11-15(12-10-13)23(2,20)21)18(19-22-16)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyWNVGFLPZMZKQIN-UHFFFAOYSA-N
XLogP3.97
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole?
The IUPAC name of 5-ethyl-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole (CID 59810471) is 5-ethyl-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-ethyl-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-ethyl-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole is CCc1onc(-c2ccccc2)c1-c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 5-ethyl-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole?
The InChIKey is WNVGFLPZMZKQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-3-16-17(13-9-11-15(12-10-13)23(2,20)21)18(19-22-16)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3.
What are the key properties of 5-ethyl-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole?
5-ethyl-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole has a molecular weight of 327.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole is sourced from PubChem (CID 59810471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).