3,5,5-triphenyl-1,4,2-oxathiazole

C20H15NOS — CID 102319974

IUPAC3,5,5-triphenyl-1,4,2-oxathiazole
SMILESc1ccc(C2=NOC(c3ccccc3)(c3ccccc3)S2)cc1
InChIInChI=1S/C20H15NOS/c1-4-10-16(11-5-1)19-21-22-20(23-19,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyBCAOOXYZBHIVCU-UHFFFAOYSA-N
MW317.41 g/mol
LogP5.01
Rot. Bonds3

About 3,5,5-triphenyl-1,4,2-oxathiazole

3,5,5-triphenyl-1,4,2-oxathiazole (PubChem CID 102319974) has the molecular formula C20H15NOS and a molecular weight of 317.41 g/mol. Its IUPAC name is 3,5,5-triphenyl-1,4,2-oxathiazole.

Molecular Properties

Compound Name3,5,5-triphenyl-1,4,2-oxathiazole
PubChem CID102319974
Molecular FormulaC20H15NOS
Molecular Weight317.41 g/mol
Exact Mass317.09
IUPAC Name3,5,5-triphenyl-1,4,2-oxathiazole
SMILESc1ccc(C2=NOC(c3ccccc3)(c3ccccc3)S2)cc1
InChIInChI=1S/C20H15NOS/c1-4-10-16(11-5-1)19-21-22-20(23-19,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyBCAOOXYZBHIVCU-UHFFFAOYSA-N
XLogP5.01
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.41
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,5,5-triphenyl-1,4,2-oxathiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5,5-triphenyl-1,4,2-oxathiazole?
The IUPAC name of 3,5,5-triphenyl-1,4,2-oxathiazole (CID 102319974) is 3,5,5-triphenyl-1,4,2-oxathiazole.
What is the SMILES notation for 3,5,5-triphenyl-1,4,2-oxathiazole?
The canonical SMILES for 3,5,5-triphenyl-1,4,2-oxathiazole is c1ccc(C2=NOC(c3ccccc3)(c3ccccc3)S2)cc1.
What is the InChIKey of 3,5,5-triphenyl-1,4,2-oxathiazole?
The InChIKey is BCAOOXYZBHIVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NOS/c1-4-10-16(11-5-1)19-21-22-20(23-19,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H.
What are the key properties of 3,5,5-triphenyl-1,4,2-oxathiazole?
3,5,5-triphenyl-1,4,2-oxathiazole has a molecular weight of 317.41 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-triphenyl-1,4,2-oxathiazole is sourced from PubChem (CID 102319974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).