pentafluoro-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-λ6-sulfane

C10H8F5NOS — CID 91041534

IUPACpentafluoro-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-λ6-sulfane
SMILESCc1ncoc1-c1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C10H8F5NOS/c1-7-10(17-6-16-7)8-2-4-9(5-3-8)18(11,12,13,14)15/h2-6H,1H3
InChIKeyGYNNGAFPNRKGTM-UHFFFAOYSA-N
MW285.24 g/mol
LogP5.31
Rot. Bonds2

About pentafluoro-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-λ6-sulfane

pentafluoro-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-λ6-sulfane (PubChem CID 91041534) has the molecular formula C10H8F5NOS and a molecular weight of 285.24 g/mol. Its IUPAC name is pentafluoro-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-λ6-sulfane
PubChem CID91041534
Molecular FormulaC10H8F5NOS
Molecular Weight285.24 g/mol
Exact Mass285.02
IUPAC Namepentafluoro-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-λ6-sulfane
SMILESCc1ncoc1-c1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C10H8F5NOS/c1-7-10(17-6-16-7)8-2-4-9(5-3-8)18(11,12,13,14)15/h2-6H,1H3
InChIKeyGYNNGAFPNRKGTM-UHFFFAOYSA-N
XLogP5.31
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.24
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pentafluoro-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-λ6-sulfane?
The IUPAC name of pentafluoro-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-λ6-sulfane (CID 91041534) is pentafluoro-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-λ6-sulfane.
What is the SMILES notation for pentafluoro-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-λ6-sulfane?
The canonical SMILES for pentafluoro-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-λ6-sulfane is Cc1ncoc1-c1ccc(S(F)(F)(F)(F)F)cc1.
What is the InChIKey of pentafluoro-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-λ6-sulfane?
The InChIKey is GYNNGAFPNRKGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NOS/c1-7-10(17-6-16-7)8-2-4-9(5-3-8)18(11,12,13,14)15/h2-6H,1H3.
What are the key properties of pentafluoro-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-λ6-sulfane?
pentafluoro-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-λ6-sulfane has a molecular weight of 285.24 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-λ6-sulfane is sourced from PubChem (CID 91041534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).