5-[1-(benzenesulfonyl)indol-3-yl]-2-benzyl-1,3-oxazole

C24H18N2O3S — CID 101460041

IUPAC5-[1-(benzenesulfonyl)indol-3-yl]-2-benzyl-1,3-oxazole
SMILESO=S(=O)(c1ccccc1)n1cc(-c2cnc(Cc3ccccc3)o2)c2ccccc21
InChIInChI=1S/C24H18N2O3S/c27-30(28,19-11-5-2-6-12-19)26-17-21(20-13-7-8-14-22(20)26)23-16-25-24(29-23)15-18-9-3-1-4-10-18/h1-14,16-17H,15H2
InChIKeyGLMCRLRWEJABQP-UHFFFAOYSA-N
MW414.49 g/mol
LogP5.12
Rot. Bonds5

About 5-[1-(benzenesulfonyl)indol-3-yl]-2-benzyl-1,3-oxazole

5-[1-(benzenesulfonyl)indol-3-yl]-2-benzyl-1,3-oxazole (PubChem CID 101460041) has the molecular formula C24H18N2O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is 5-[1-(benzenesulfonyl)indol-3-yl]-2-benzyl-1,3-oxazole.

Molecular Properties

Compound Name5-[1-(benzenesulfonyl)indol-3-yl]-2-benzyl-1,3-oxazole
PubChem CID101460041
Molecular FormulaC24H18N2O3S
Molecular Weight414.49 g/mol
Exact Mass414.10
IUPAC Name5-[1-(benzenesulfonyl)indol-3-yl]-2-benzyl-1,3-oxazole
SMILESO=S(=O)(c1ccccc1)n1cc(-c2cnc(Cc3ccccc3)o2)c2ccccc21
InChIInChI=1S/C24H18N2O3S/c27-30(28,19-11-5-2-6-12-19)26-17-21(20-13-7-8-14-22(20)26)23-16-25-24(29-23)15-18-9-3-1-4-10-18/h1-14,16-17H,15H2
InChIKeyGLMCRLRWEJABQP-UHFFFAOYSA-N
XLogP5.12
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonyl)indol-3-yl]-2-benzyl-1,3-oxazole?
The IUPAC name of 5-[1-(benzenesulfonyl)indol-3-yl]-2-benzyl-1,3-oxazole (CID 101460041) is 5-[1-(benzenesulfonyl)indol-3-yl]-2-benzyl-1,3-oxazole.
What is the SMILES notation for 5-[1-(benzenesulfonyl)indol-3-yl]-2-benzyl-1,3-oxazole?
The canonical SMILES for 5-[1-(benzenesulfonyl)indol-3-yl]-2-benzyl-1,3-oxazole is O=S(=O)(c1ccccc1)n1cc(-c2cnc(Cc3ccccc3)o2)c2ccccc21.
What is the InChIKey of 5-[1-(benzenesulfonyl)indol-3-yl]-2-benzyl-1,3-oxazole?
The InChIKey is GLMCRLRWEJABQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3S/c27-30(28,19-11-5-2-6-12-19)26-17-21(20-13-7-8-14-22(20)26)23-16-25-24(29-23)15-18-9-3-1-4-10-18/h1-14,16-17H,15H2.
What are the key properties of 5-[1-(benzenesulfonyl)indol-3-yl]-2-benzyl-1,3-oxazole?
5-[1-(benzenesulfonyl)indol-3-yl]-2-benzyl-1,3-oxazole has a molecular weight of 414.49 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzenesulfonyl)indol-3-yl]-2-benzyl-1,3-oxazole is sourced from PubChem (CID 101460041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).