1,3-benzoxazol-5-yl(pentafluoro)-λ6-sulfane

C7H4F5NOS — CID 71651411

IUPAC1,3-benzoxazol-5-yl(pentafluoro)-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc2ocnc2c1
InChIInChI=1S/C7H4F5NOS/c8-15(9,10,11,12)5-1-2-7-6(3-5)13-4-14-7/h1-4H
InChIKeyRDYQMSOJDMEGFL-UHFFFAOYSA-N
MW245.17 g/mol
LogP4.49
Rot. Bonds1

About 1,3-benzoxazol-5-yl(pentafluoro)-λ6-sulfane

1,3-benzoxazol-5-yl(pentafluoro)-λ6-sulfane (PubChem CID 71651411) has the molecular formula C7H4F5NOS and a molecular weight of 245.17 g/mol. Its IUPAC name is 1,3-benzoxazol-5-yl(pentafluoro)-λ6-sulfane.

Molecular Properties

Compound Name1,3-benzoxazol-5-yl(pentafluoro)-λ6-sulfane
PubChem CID71651411
Molecular FormulaC7H4F5NOS
Molecular Weight245.17 g/mol
Exact Mass244.99
IUPAC Name1,3-benzoxazol-5-yl(pentafluoro)-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc2ocnc2c1
InChIInChI=1S/C7H4F5NOS/c8-15(9,10,11,12)5-1-2-7-6(3-5)13-4-14-7/h1-4H
InChIKeyRDYQMSOJDMEGFL-UHFFFAOYSA-N
XLogP4.49
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.17
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3-benzoxazol-5-yl(pentafluoro)-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazol-5-yl(pentafluoro)-λ6-sulfane?
The IUPAC name of 1,3-benzoxazol-5-yl(pentafluoro)-λ6-sulfane (CID 71651411) is 1,3-benzoxazol-5-yl(pentafluoro)-λ6-sulfane.
What is the SMILES notation for 1,3-benzoxazol-5-yl(pentafluoro)-λ6-sulfane?
The canonical SMILES for 1,3-benzoxazol-5-yl(pentafluoro)-λ6-sulfane is FS(F)(F)(F)(F)c1ccc2ocnc2c1.
What is the InChIKey of 1,3-benzoxazol-5-yl(pentafluoro)-λ6-sulfane?
The InChIKey is RDYQMSOJDMEGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5NOS/c8-15(9,10,11,12)5-1-2-7-6(3-5)13-4-14-7/h1-4H.
What are the key properties of 1,3-benzoxazol-5-yl(pentafluoro)-λ6-sulfane?
1,3-benzoxazol-5-yl(pentafluoro)-λ6-sulfane has a molecular weight of 245.17 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazol-5-yl(pentafluoro)-λ6-sulfane is sourced from PubChem (CID 71651411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).