4-[4-phenyl-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide

C24H22N2O3S — CID 18701848

IUPAC4-[4-phenyl-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2oc(CCCc3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C24H22N2O3S/c25-30(27,28)21-16-14-20(15-17-21)24-23(19-11-5-2-6-12-19)26-22(29-24)13-7-10-18-8-3-1-4-9-18/h1-6,8-9,11-12,14-17H,7,10,13H2,(H2,25,27,28)
InChIKeyYJBUTAZIBRTIQA-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.83
Rot. Bonds7

About 4-[4-phenyl-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide

4-[4-phenyl-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide (PubChem CID 18701848) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-[4-phenyl-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-phenyl-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide
PubChem CID18701848
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name4-[4-phenyl-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2oc(CCCc3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C24H22N2O3S/c25-30(27,28)21-16-14-20(15-17-21)24-23(19-11-5-2-6-12-19)26-22(29-24)13-7-10-18-8-3-1-4-9-18/h1-6,8-9,11-12,14-17H,7,10,13H2,(H2,25,27,28)
InChIKeyYJBUTAZIBRTIQA-UHFFFAOYSA-N
XLogP4.83
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-phenyl-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[4-phenyl-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide (CID 18701848) is 4-[4-phenyl-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-phenyl-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-phenyl-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2oc(CCCc3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of 4-[4-phenyl-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The InChIKey is YJBUTAZIBRTIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c25-30(27,28)21-16-14-20(15-17-21)24-23(19-11-5-2-6-12-19)26-22(29-24)13-7-10-18-8-3-1-4-9-18/h1-6,8-9,11-12,14-17H,7,10,13H2,(H2,25,27,28).
What are the key properties of 4-[4-phenyl-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide?
4-[4-phenyl-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide has a molecular weight of 418.52 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-phenyl-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 18701848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).