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

C15H10FNOS — CID 54471723

IUPAC4-(2-fluorophenyl)-5-phenyl-3H-1,3-oxazole-2-thione
SMILESFc1ccccc1-c1[nH]c(=S)oc1-c1ccccc1
InChIInChI=1S/C15H10FNOS/c16-12-9-5-4-8-11(12)13-14(18-15(19)17-13)10-6-2-1-3-7-10/h1-9H,(H,17,19)
InChIKeyXIUXJVLBRKFSBC-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.81
Rot. Bonds2

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

4-(2-fluorophenyl)-5-phenyl-3H-1,3-oxazole-2-thione (PubChem CID 54471723) has the molecular formula C15H10FNOS and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5-phenyl-3H-1,3-oxazole-2-thione.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5-phenyl-3H-1,3-oxazole-2-thione
PubChem CID54471723
Molecular FormulaC15H10FNOS
Molecular Weight271.32 g/mol
Exact Mass271.05
IUPAC Name4-(2-fluorophenyl)-5-phenyl-3H-1,3-oxazole-2-thione
SMILESFc1ccccc1-c1[nH]c(=S)oc1-c1ccccc1
InChIInChI=1S/C15H10FNOS/c16-12-9-5-4-8-11(12)13-14(18-15(19)17-13)10-6-2-1-3-7-10/h1-9H,(H,17,19)
InChIKeyXIUXJVLBRKFSBC-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 4-(2-fluorophenyl)-5-phenyl-3H-1,3-oxazole-2-thione?
The IUPAC name of 4-(2-fluorophenyl)-5-phenyl-3H-1,3-oxazole-2-thione (CID 54471723) is 4-(2-fluorophenyl)-5-phenyl-3H-1,3-oxazole-2-thione.
What is the SMILES notation for 4-(2-fluorophenyl)-5-phenyl-3H-1,3-oxazole-2-thione?
The canonical SMILES for 4-(2-fluorophenyl)-5-phenyl-3H-1,3-oxazole-2-thione is Fc1ccccc1-c1[nH]c(=S)oc1-c1ccccc1.
What is the InChIKey of 4-(2-fluorophenyl)-5-phenyl-3H-1,3-oxazole-2-thione?
The InChIKey is XIUXJVLBRKFSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNOS/c16-12-9-5-4-8-11(12)13-14(18-15(19)17-13)10-6-2-1-3-7-10/h1-9H,(H,17,19).
What are the key properties of 4-(2-fluorophenyl)-5-phenyl-3H-1,3-oxazole-2-thione?
4-(2-fluorophenyl)-5-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 4-(2-fluorophenyl)-5-phenyl-3H-1,3-oxazole-2-thione is sourced from PubChem (CID 54471723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).