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

C9H6FNOS — CID 106798973

IUPAC4-(3-fluorophenyl)-3H-1,3-oxazole-2-thione
SMILESFc1cccc(-c2coc(=S)[nH]2)c1
InChIInChI=1S/C9H6FNOS/c10-7-3-1-2-6(4-7)8-5-12-9(13)11-8/h1-5H,(H,11,13)
InChIKeyQHJWKYNALUNVKU-UHFFFAOYSA-N
MW195.22 g/mol
LogP3.14
Rot. Bonds1

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

4-(3-fluorophenyl)-3H-1,3-oxazole-2-thione (PubChem CID 106798973) has the molecular formula C9H6FNOS and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3H-1,3-oxazole-2-thione.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3H-1,3-oxazole-2-thione
PubChem CID106798973
Molecular FormulaC9H6FNOS
Molecular Weight195.22 g/mol
Exact Mass195.02
IUPAC Name4-(3-fluorophenyl)-3H-1,3-oxazole-2-thione
SMILESFc1cccc(-c2coc(=S)[nH]2)c1
InChIInChI=1S/C9H6FNOS/c10-7-3-1-2-6(4-7)8-5-12-9(13)11-8/h1-5H,(H,11,13)
InChIKeyQHJWKYNALUNVKU-UHFFFAOYSA-N
XLogP3.14
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 53.14
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-(3-fluorophenyl)-3H-1,3-oxazole-2-thione?
The IUPAC name of 4-(3-fluorophenyl)-3H-1,3-oxazole-2-thione (CID 106798973) is 4-(3-fluorophenyl)-3H-1,3-oxazole-2-thione.
What is the SMILES notation for 4-(3-fluorophenyl)-3H-1,3-oxazole-2-thione?
The canonical SMILES for 4-(3-fluorophenyl)-3H-1,3-oxazole-2-thione is Fc1cccc(-c2coc(=S)[nH]2)c1.
What is the InChIKey of 4-(3-fluorophenyl)-3H-1,3-oxazole-2-thione?
The InChIKey is QHJWKYNALUNVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNOS/c10-7-3-1-2-6(4-7)8-5-12-9(13)11-8/h1-5H,(H,11,13).
What are the key properties of 4-(3-fluorophenyl)-3H-1,3-oxazole-2-thione?
4-(3-fluorophenyl)-3H-1,3-oxazole-2-thione has a molecular weight of 195.22 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-3H-1,3-oxazole-2-thione is sourced from PubChem (CID 106798973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).