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

C17H15NO3S — CID 10041271

IUPAC2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazole
SMILESCc1nc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)o1
InChIInChI=1S/C17H15NO3S/c1-12-18-16(13-6-4-3-5-7-13)17(21-12)14-8-10-15(11-9-14)22(2,19)20/h3-11H,1-2H3
InChIKeyAAVJWYXBVYXAAN-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.72
Rot. Bonds3

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

2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazole (PubChem CID 10041271) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazole
PubChem CID10041271
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazole
SMILESCc1nc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)o1
InChIInChI=1S/C17H15NO3S/c1-12-18-16(13-6-4-3-5-7-13)17(21-12)14-8-10-15(11-9-14)22(2,19)20/h3-11H,1-2H3
InChIKeyAAVJWYXBVYXAAN-UHFFFAOYSA-N
XLogP3.72
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazole?
The IUPAC name of 2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazole (CID 10041271) is 2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazole.
What is the SMILES notation for 2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazole?
The canonical SMILES for 2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazole is Cc1nc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)o1.
What is the InChIKey of 2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazole?
The InChIKey is AAVJWYXBVYXAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-12-18-16(13-6-4-3-5-7-13)17(21-12)14-8-10-15(11-9-14)22(2,19)20/h3-11H,1-2H3.
What are the key properties of 2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazole?
2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazole has a molecular weight of 313.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazole is sourced from PubChem (CID 10041271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).