5-(3-fluorophenyl)-4-phenyl-3H-1,3-oxazole-2-thione

C15H10FNOS — CID 54274710

IUPAC5-(3-fluorophenyl)-4-phenyl-3H-1,3-oxazole-2-thione
SMILESFc1cccc(-c2oc(=S)[nH]c2-c2ccccc2)c1
InChIInChI=1S/C15H10FNOS/c16-12-8-4-7-11(9-12)14-13(17-15(19)18-14)10-5-2-1-3-6-10/h1-9H,(H,17,19)
InChIKeyRMPPSPFNIVZKQW-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.81
Rot. Bonds2

About 5-(3-fluorophenyl)-4-phenyl-3H-1,3-oxazole-2-thione

5-(3-fluorophenyl)-4-phenyl-3H-1,3-oxazole-2-thione (PubChem CID 54274710) has the molecular formula C15H10FNOS and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-phenyl-3H-1,3-oxazole-2-thione.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-phenyl-3H-1,3-oxazole-2-thione
PubChem CID54274710
Molecular FormulaC15H10FNOS
Molecular Weight271.32 g/mol
Exact Mass271.05
IUPAC Name5-(3-fluorophenyl)-4-phenyl-3H-1,3-oxazole-2-thione
SMILESFc1cccc(-c2oc(=S)[nH]c2-c2ccccc2)c1
InChIInChI=1S/C15H10FNOS/c16-12-8-4-7-11(9-12)14-13(17-15(19)18-14)10-5-2-1-3-6-10/h1-9H,(H,17,19)
InChIKeyRMPPSPFNIVZKQW-UHFFFAOYSA-N
XLogP4.81
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.81
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-(3-fluorophenyl)-4-phenyl-3H-1,3-oxazole-2-thione?
The IUPAC name of 5-(3-fluorophenyl)-4-phenyl-3H-1,3-oxazole-2-thione (CID 54274710) is 5-(3-fluorophenyl)-4-phenyl-3H-1,3-oxazole-2-thione.
What is the SMILES notation for 5-(3-fluorophenyl)-4-phenyl-3H-1,3-oxazole-2-thione?
The canonical SMILES for 5-(3-fluorophenyl)-4-phenyl-3H-1,3-oxazole-2-thione is Fc1cccc(-c2oc(=S)[nH]c2-c2ccccc2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-4-phenyl-3H-1,3-oxazole-2-thione?
The InChIKey is RMPPSPFNIVZKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNOS/c16-12-8-4-7-11(9-12)14-13(17-15(19)18-14)10-5-2-1-3-6-10/h1-9H,(H,17,19).
What are the key properties of 5-(3-fluorophenyl)-4-phenyl-3H-1,3-oxazole-2-thione?
5-(3-fluorophenyl)-4-phenyl-3H-1,3-oxazole-2-thione has a molecular weight of 271.32 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-phenyl-3H-1,3-oxazole-2-thione is sourced from PubChem (CID 54274710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).