2-[1-(4-methylsulfonylphenoxy)ethyl]-5-phenyl-1,3-oxazole

C18H17NO4S — CID 56792556

IUPAC2-[1-(4-methylsulfonylphenoxy)ethyl]-5-phenyl-1,3-oxazole
SMILESCC(Oc1ccc(S(C)(=O)=O)cc1)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H17NO4S/c1-13(22-15-8-10-16(11-9-15)24(2,20)21)18-19-12-17(23-18)14-6-4-3-5-7-14/h3-13H,1-2H3
InChIKeyAQFNKHIWVHBLSI-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.89
Rot. Bonds5

About 2-[1-(4-methylsulfonylphenoxy)ethyl]-5-phenyl-1,3-oxazole

2-[1-(4-methylsulfonylphenoxy)ethyl]-5-phenyl-1,3-oxazole (PubChem CID 56792556) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-[1-(4-methylsulfonylphenoxy)ethyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(4-methylsulfonylphenoxy)ethyl]-5-phenyl-1,3-oxazole
PubChem CID56792556
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC Name2-[1-(4-methylsulfonylphenoxy)ethyl]-5-phenyl-1,3-oxazole
SMILESCC(Oc1ccc(S(C)(=O)=O)cc1)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H17NO4S/c1-13(22-15-8-10-16(11-9-15)24(2,20)21)18-19-12-17(23-18)14-6-4-3-5-7-14/h3-13H,1-2H3
InChIKeyAQFNKHIWVHBLSI-UHFFFAOYSA-N
XLogP3.89
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-methylsulfonylphenoxy)ethyl]-5-phenyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylsulfonylphenoxy)ethyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 2-[1-(4-methylsulfonylphenoxy)ethyl]-5-phenyl-1,3-oxazole (CID 56792556) is 2-[1-(4-methylsulfonylphenoxy)ethyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[1-(4-methylsulfonylphenoxy)ethyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-[1-(4-methylsulfonylphenoxy)ethyl]-5-phenyl-1,3-oxazole is CC(Oc1ccc(S(C)(=O)=O)cc1)c1ncc(-c2ccccc2)o1.
What is the InChIKey of 2-[1-(4-methylsulfonylphenoxy)ethyl]-5-phenyl-1,3-oxazole?
The InChIKey is AQFNKHIWVHBLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S/c1-13(22-15-8-10-16(11-9-15)24(2,20)21)18-19-12-17(23-18)14-6-4-3-5-7-14/h3-13H,1-2H3.
What are the key properties of 2-[1-(4-methylsulfonylphenoxy)ethyl]-5-phenyl-1,3-oxazole?
2-[1-(4-methylsulfonylphenoxy)ethyl]-5-phenyl-1,3-oxazole has a molecular weight of 343.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylsulfonylphenoxy)ethyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 56792556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).