5-(benzenesulfonyl)-3-phenyl-4,5-dihydro-1,2-oxazole

C15H13NO3S — CID 10637018

IUPAC5-(benzenesulfonyl)-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESO=S(=O)(c1ccccc1)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C15H13NO3S/c17-20(18,13-9-5-2-6-10-13)15-11-14(16-19-15)12-7-3-1-4-8-12/h1-10,15H,11H2
InChIKeyDIGPRDAGRUTAAW-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.61
Rot. Bonds3

About 5-(benzenesulfonyl)-3-phenyl-4,5-dihydro-1,2-oxazole

5-(benzenesulfonyl)-3-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 10637018) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-3-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(benzenesulfonyl)-3-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID10637018
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name5-(benzenesulfonyl)-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESO=S(=O)(c1ccccc1)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C15H13NO3S/c17-20(18,13-9-5-2-6-10-13)15-11-14(16-19-15)12-7-3-1-4-8-12/h1-10,15H,11H2
InChIKeyDIGPRDAGRUTAAW-UHFFFAOYSA-N
XLogP2.61
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(benzenesulfonyl)-3-phenyl-4,5-dihydro-1,2-oxazole (CID 10637018) is 5-(benzenesulfonyl)-3-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(benzenesulfonyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(benzenesulfonyl)-3-phenyl-4,5-dihydro-1,2-oxazole is O=S(=O)(c1ccccc1)C1CC(c2ccccc2)=NO1.
What is the InChIKey of 5-(benzenesulfonyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is DIGPRDAGRUTAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c17-20(18,13-9-5-2-6-10-13)15-11-14(16-19-15)12-7-3-1-4-8-12/h1-10,15H,11H2.
What are the key properties of 5-(benzenesulfonyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
5-(benzenesulfonyl)-3-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 287.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-3-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 10637018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).