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

C9H5F2NOS — CID 106798972

IUPAC4-(2,5-difluorophenyl)-3H-1,3-oxazole-2-thione
SMILESFc1ccc(F)c(-c2coc(=S)[nH]2)c1
InChIInChI=1S/C9H5F2NOS/c10-5-1-2-7(11)6(3-5)8-4-13-9(14)12-8/h1-4H,(H,12,14)
InChIKeyGPOOIUKAEVHMSN-UHFFFAOYSA-N
MW213.21 g/mol
LogP3.28
Rot. Bonds1

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

4-(2,5-difluorophenyl)-3H-1,3-oxazole-2-thione (PubChem CID 106798972) has the molecular formula C9H5F2NOS and a molecular weight of 213.21 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-3H-1,3-oxazole-2-thione.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-3H-1,3-oxazole-2-thione
PubChem CID106798972
Molecular FormulaC9H5F2NOS
Molecular Weight213.21 g/mol
Exact Mass213.01
IUPAC Name4-(2,5-difluorophenyl)-3H-1,3-oxazole-2-thione
SMILESFc1ccc(F)c(-c2coc(=S)[nH]2)c1
InChIInChI=1S/C9H5F2NOS/c10-5-1-2-7(11)6(3-5)8-4-13-9(14)12-8/h1-4H,(H,12,14)
InChIKeyGPOOIUKAEVHMSN-UHFFFAOYSA-N
XLogP3.28
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 53.28
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-(2,5-difluorophenyl)-3H-1,3-oxazole-2-thione?
The IUPAC name of 4-(2,5-difluorophenyl)-3H-1,3-oxazole-2-thione (CID 106798972) is 4-(2,5-difluorophenyl)-3H-1,3-oxazole-2-thione.
What is the SMILES notation for 4-(2,5-difluorophenyl)-3H-1,3-oxazole-2-thione?
The canonical SMILES for 4-(2,5-difluorophenyl)-3H-1,3-oxazole-2-thione is Fc1ccc(F)c(-c2coc(=S)[nH]2)c1.
What is the InChIKey of 4-(2,5-difluorophenyl)-3H-1,3-oxazole-2-thione?
The InChIKey is GPOOIUKAEVHMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NOS/c10-5-1-2-7(11)6(3-5)8-4-13-9(14)12-8/h1-4H,(H,12,14).
What are the key properties of 4-(2,5-difluorophenyl)-3H-1,3-oxazole-2-thione?
4-(2,5-difluorophenyl)-3H-1,3-oxazole-2-thione has a molecular weight of 213.21 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-3H-1,3-oxazole-2-thione is sourced from PubChem (CID 106798972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).