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

C21H15NO5S — CID 5047307

IUPAC[4-(benzenesulfonyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]-(furan-2-yl)methanone
SMILESCc1ccc(-c2onc(C(=O)c3ccco3)c2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H15NO5S/c1-14-9-11-15(12-10-14)20-21(28(24,25)16-6-3-2-4-7-16)18(22-27-20)19(23)17-8-5-13-26-17/h2-13H,1H3
InChIKeyRIHAIHGIRNFECS-UHFFFAOYSA-N
MW393.42 g/mol
LogP4.31
Rot. Bonds5

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

[4-(benzenesulfonyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]-(furan-2-yl)methanone (PubChem CID 5047307) has the molecular formula C21H15NO5S and a molecular weight of 393.42 g/mol. Its IUPAC name is [4-(benzenesulfonyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]-(furan-2-yl)methanone
PubChem CID5047307
Molecular FormulaC21H15NO5S
Molecular Weight393.42 g/mol
Exact Mass393.07
IUPAC Name[4-(benzenesulfonyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]-(furan-2-yl)methanone
SMILESCc1ccc(-c2onc(C(=O)c3ccco3)c2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H15NO5S/c1-14-9-11-15(12-10-14)20-21(28(24,25)16-6-3-2-4-7-16)18(22-27-20)19(23)17-8-5-13-26-17/h2-13H,1H3
InChIKeyRIHAIHGIRNFECS-UHFFFAOYSA-N
XLogP4.31
TPSA90.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.31
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-methylphenyl)-1,2-oxazol-3-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(benzenesulfonyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]-(furan-2-yl)methanone (CID 5047307) is [4-(benzenesulfonyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]-(furan-2-yl)methanone is Cc1ccc(-c2onc(C(=O)c3ccco3)c2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(benzenesulfonyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]-(furan-2-yl)methanone?
The InChIKey is RIHAIHGIRNFECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO5S/c1-14-9-11-15(12-10-14)20-21(28(24,25)16-6-3-2-4-7-16)18(22-27-20)19(23)17-8-5-13-26-17/h2-13H,1H3.
What are the key properties of [4-(benzenesulfonyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]-(furan-2-yl)methanone?
[4-(benzenesulfonyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]-(furan-2-yl)methanone has a molecular weight of 393.42 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)-5-(4-methylphenyl)-1,2-oxazol-3-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 5047307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).