[5-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazol-4-yl]-phenylmethanone

C23H17NO4S — CID 100993333

IUPAC[5-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazol-4-yl]-phenylmethanone
SMILESCc1ccc(S(=O)(=O)c2onc(-c3ccccc3)c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H17NO4S/c1-16-12-14-19(15-13-16)29(26,27)23-20(22(25)18-10-6-3-7-11-18)21(24-28-23)17-8-4-2-5-9-17/h2-15H,1H3
InChIKeyWWZOTDHZQQCGGA-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.71
Rot. Bonds5

About [5-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazol-4-yl]-phenylmethanone

[5-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazol-4-yl]-phenylmethanone (PubChem CID 100993333) has the molecular formula C23H17NO4S and a molecular weight of 403.46 g/mol. Its IUPAC name is [5-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazol-4-yl]-phenylmethanone
PubChem CID100993333
Molecular FormulaC23H17NO4S
Molecular Weight403.46 g/mol
Exact Mass403.09
IUPAC Name[5-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazol-4-yl]-phenylmethanone
SMILESCc1ccc(S(=O)(=O)c2onc(-c3ccccc3)c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H17NO4S/c1-16-12-14-19(15-13-16)29(26,27)23-20(22(25)18-10-6-3-7-11-18)21(24-28-23)17-8-4-2-5-9-17/h2-15H,1H3
InChIKeyWWZOTDHZQQCGGA-UHFFFAOYSA-N
XLogP4.71
TPSA77.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide
CID 4525526
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
(4-benzoylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 4240188
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
[4-(benzenesulfonyl)phenyl]-phenylmethanone
CID 1040286
5-ethyl-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole
CID 59810471
2,2-dimethyl-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylpropanamide
CID 22643578
4-(5-(113C)methyl-3-phenyl-(513C,215N)1,2-oxazol-4-yl)benzenesulfonamide
CID 46783221
methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 160931998
5-(4-methylphenyl)sulfonyl-4-phenyl-1,3-thiazol-2-amine
CID 10758828

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazol-4-yl]-phenylmethanone?
The IUPAC name of [5-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazol-4-yl]-phenylmethanone (CID 100993333) is [5-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazol-4-yl]-phenylmethanone.
What is the SMILES notation for [5-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazol-4-yl]-phenylmethanone?
The canonical SMILES for [5-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazol-4-yl]-phenylmethanone is Cc1ccc(S(=O)(=O)c2onc(-c3ccccc3)c2C(=O)c2ccccc2)cc1.
What is the InChIKey of [5-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazol-4-yl]-phenylmethanone?
The InChIKey is WWZOTDHZQQCGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4S/c1-16-12-14-19(15-13-16)29(26,27)23-20(22(25)18-10-6-3-7-11-18)21(24-28-23)17-8-4-2-5-9-17/h2-15H,1H3.
What are the key properties of [5-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazol-4-yl]-phenylmethanone?
[5-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazol-4-yl]-phenylmethanone has a molecular weight of 403.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazol-4-yl]-phenylmethanone is sourced from PubChem (CID 100993333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).