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

C23H17NO5S — CID 2753581

IUPAC[4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2noc(-c3ccccc3)c2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H17NO5S/c1-28-18-14-12-16(13-15-18)21(25)20-23(30(26,27)19-10-6-3-7-11-19)22(29-24-20)17-8-4-2-5-9-17/h2-15H,1H3
InChIKeyWQZFJIWLXCMYCL-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.41
Rot. Bonds6

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

[4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 2753581) has the molecular formula C23H17NO5S and a molecular weight of 419.46 g/mol. Its IUPAC name is [4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(4-methoxyphenyl)methanone
PubChem CID2753581
Molecular FormulaC23H17NO5S
Molecular Weight419.46 g/mol
Exact Mass419.08
IUPAC Name[4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2noc(-c3ccccc3)c2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H17NO5S/c1-28-18-14-12-16(13-15-18)21(25)20-23(30(26,27)19-10-6-3-7-11-19)22(29-24-20)17-8-4-2-5-9-17/h2-15H,1H3
InChIKeyWQZFJIWLXCMYCL-UHFFFAOYSA-N
XLogP4.41
TPSA86.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(4-methoxyphenyl)methanone (CID 2753581) is [4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2noc(-c3ccccc3)c2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is WQZFJIWLXCMYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO5S/c1-28-18-14-12-16(13-15-18)21(25)20-23(30(26,27)19-10-6-3-7-11-19)22(29-24-20)17-8-4-2-5-9-17/h2-15H,1H3.
What are the key properties of [4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(4-methoxyphenyl)methanone?
[4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 419.46 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)-5-phenyl-1,2-oxazol-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 2753581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).