[4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-methylphenyl)methanone

C24H19NO5S — CID 2753580

IUPAC[4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc(-c2onc(C(=O)c3ccc(C)cc3)c2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H19NO5S/c1-16-8-10-17(11-9-16)22(26)21-24(31(27,28)20-6-4-3-5-7-20)23(30-25-21)18-12-14-19(29-2)15-13-18/h3-15H,1-2H3
InChIKeyRCTNAJPJXWRHFQ-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.72
Rot. Bonds6

About [4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-methylphenyl)methanone

[4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-methylphenyl)methanone (PubChem CID 2753580) has the molecular formula C24H19NO5S and a molecular weight of 433.49 g/mol. Its IUPAC name is [4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-methylphenyl)methanone
PubChem CID2753580
Molecular FormulaC24H19NO5S
Molecular Weight433.49 g/mol
Exact Mass433.10
IUPAC Name[4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc(-c2onc(C(=O)c3ccc(C)cc3)c2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H19NO5S/c1-16-8-10-17(11-9-16)22(26)21-24(31(27,28)20-6-4-3-5-7-20)23(30-25-21)18-12-14-19(29-2)15-13-18/h3-15H,1-2H3
InChIKeyRCTNAJPJXWRHFQ-UHFFFAOYSA-N
XLogP4.72
TPSA86.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-methylphenyl)methanone (CID 2753580) is [4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-methylphenyl)methanone is COc1ccc(-c2onc(C(=O)c3ccc(C)cc3)c2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-methylphenyl)methanone?
The InChIKey is RCTNAJPJXWRHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5S/c1-16-8-10-17(11-9-16)22(26)21-24(31(27,28)20-6-4-3-5-7-20)23(30-25-21)18-12-14-19(29-2)15-13-18/h3-15H,1-2H3.
What are the key properties of [4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-methylphenyl)methanone?
[4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-methylphenyl)methanone has a molecular weight of 433.49 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 2753580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).