5-[2-(4-chlorophenyl)phenyl]-3H-1,3-oxazole-2-thione

C15H10ClNOS — CID 21408628

IUPAC5-[2-(4-chlorophenyl)phenyl]-3H-1,3-oxazole-2-thione
SMILESS=c1[nH]cc(-c2ccccc2-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H10ClNOS/c16-11-7-5-10(6-8-11)12-3-1-2-4-13(12)14-9-17-15(19)18-14/h1-9H,(H,17,19)
InChIKeySUZVSIVEPQHFHU-UHFFFAOYSA-N
MW287.77 g/mol
LogP5.32
Rot. Bonds2

About 5-[2-(4-chlorophenyl)phenyl]-3H-1,3-oxazole-2-thione

5-[2-(4-chlorophenyl)phenyl]-3H-1,3-oxazole-2-thione (PubChem CID 21408628) has the molecular formula C15H10ClNOS and a molecular weight of 287.77 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)phenyl]-3H-1,3-oxazole-2-thione.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)phenyl]-3H-1,3-oxazole-2-thione
PubChem CID21408628
Molecular FormulaC15H10ClNOS
Molecular Weight287.77 g/mol
Exact Mass287.02
IUPAC Name5-[2-(4-chlorophenyl)phenyl]-3H-1,3-oxazole-2-thione
SMILESS=c1[nH]cc(-c2ccccc2-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H10ClNOS/c16-11-7-5-10(6-8-11)12-3-1-2-4-13(12)14-9-17-15(19)18-14/h1-9H,(H,17,19)
InChIKeySUZVSIVEPQHFHU-UHFFFAOYSA-N
XLogP5.32
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.77
LogP ≤ 55.32
H-Bond Donors ≤ 51
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 5-[2-(4-chlorophenyl)phenyl]-3H-1,3-oxazole-2-thione?
The IUPAC name of 5-[2-(4-chlorophenyl)phenyl]-3H-1,3-oxazole-2-thione (CID 21408628) is 5-[2-(4-chlorophenyl)phenyl]-3H-1,3-oxazole-2-thione.
What is the SMILES notation for 5-[2-(4-chlorophenyl)phenyl]-3H-1,3-oxazole-2-thione?
The canonical SMILES for 5-[2-(4-chlorophenyl)phenyl]-3H-1,3-oxazole-2-thione is S=c1[nH]cc(-c2ccccc2-c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[2-(4-chlorophenyl)phenyl]-3H-1,3-oxazole-2-thione?
The InChIKey is SUZVSIVEPQHFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNOS/c16-11-7-5-10(6-8-11)12-3-1-2-4-13(12)14-9-17-15(19)18-14/h1-9H,(H,17,19).
What are the key properties of 5-[2-(4-chlorophenyl)phenyl]-3H-1,3-oxazole-2-thione?
5-[2-(4-chlorophenyl)phenyl]-3H-1,3-oxazole-2-thione has a molecular weight of 287.77 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)phenyl]-3H-1,3-oxazole-2-thione is sourced from PubChem (CID 21408628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).