2-(4-bromophenyl)-3-phenyl-1,3-oxazolidine-4-thione

C15H12BrNOS — CID 3480829

IUPAC2-(4-bromophenyl)-3-phenyl-1,3-oxazolidine-4-thione
SMILESS=C1COC(c2ccc(Br)cc2)N1c1ccccc1
InChIInChI=1S/C15H12BrNOS/c16-12-8-6-11(7-9-12)15-17(14(19)10-18-15)13-4-2-1-3-5-13/h1-9,15H,10H2
InChIKeyNVQZAJRGCJUBGY-UHFFFAOYSA-N
MW334.24 g/mol
LogP4.31
Rot. Bonds2

About 2-(4-bromophenyl)-3-phenyl-1,3-oxazolidine-4-thione

2-(4-bromophenyl)-3-phenyl-1,3-oxazolidine-4-thione (PubChem CID 3480829) has the molecular formula C15H12BrNOS and a molecular weight of 334.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-phenyl-1,3-oxazolidine-4-thione.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-phenyl-1,3-oxazolidine-4-thione
PubChem CID3480829
Molecular FormulaC15H12BrNOS
Molecular Weight334.24 g/mol
Exact Mass332.98
IUPAC Name2-(4-bromophenyl)-3-phenyl-1,3-oxazolidine-4-thione
SMILESS=C1COC(c2ccc(Br)cc2)N1c1ccccc1
InChIInChI=1S/C15H12BrNOS/c16-12-8-6-11(7-9-12)15-17(14(19)10-18-15)13-4-2-1-3-5-13/h1-9,15H,10H2
InChIKeyNVQZAJRGCJUBGY-UHFFFAOYSA-N
XLogP4.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-phenyl-1,3-oxazolidine-4-thione?
The IUPAC name of 2-(4-bromophenyl)-3-phenyl-1,3-oxazolidine-4-thione (CID 3480829) is 2-(4-bromophenyl)-3-phenyl-1,3-oxazolidine-4-thione.
What is the SMILES notation for 2-(4-bromophenyl)-3-phenyl-1,3-oxazolidine-4-thione?
The canonical SMILES for 2-(4-bromophenyl)-3-phenyl-1,3-oxazolidine-4-thione is S=C1COC(c2ccc(Br)cc2)N1c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)-3-phenyl-1,3-oxazolidine-4-thione?
The InChIKey is NVQZAJRGCJUBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNOS/c16-12-8-6-11(7-9-12)15-17(14(19)10-18-15)13-4-2-1-3-5-13/h1-9,15H,10H2.
What are the key properties of 2-(4-bromophenyl)-3-phenyl-1,3-oxazolidine-4-thione?
2-(4-bromophenyl)-3-phenyl-1,3-oxazolidine-4-thione has a molecular weight of 334.24 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-phenyl-1,3-oxazolidine-4-thione is sourced from PubChem (CID 3480829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).