6-[4-(trifluoromethyl)phenyl]sulfanyl-2,1-benzoxazole

C14H8F3NOS — CID 150180102

IUPAC6-[4-(trifluoromethyl)phenyl]sulfanyl-2,1-benzoxazole
SMILESFC(F)(F)c1ccc(Sc2ccc3conc3c2)cc1
InChIInChI=1S/C14H8F3NOS/c15-14(16,17)10-2-5-11(6-3-10)20-12-4-1-9-8-19-18-13(9)7-12/h1-8H
InChIKeyFLFSBEURLPUKPO-UHFFFAOYSA-N
MW295.29 g/mol
LogP5.00
Rot. Bonds2

About 6-[4-(trifluoromethyl)phenyl]sulfanyl-2,1-benzoxazole

6-[4-(trifluoromethyl)phenyl]sulfanyl-2,1-benzoxazole (PubChem CID 150180102) has the molecular formula C14H8F3NOS and a molecular weight of 295.29 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)phenyl]sulfanyl-2,1-benzoxazole.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)phenyl]sulfanyl-2,1-benzoxazole
PubChem CID150180102
Molecular FormulaC14H8F3NOS
Molecular Weight295.29 g/mol
Exact Mass295.03
IUPAC Name6-[4-(trifluoromethyl)phenyl]sulfanyl-2,1-benzoxazole
SMILESFC(F)(F)c1ccc(Sc2ccc3conc3c2)cc1
InChIInChI=1S/C14H8F3NOS/c15-14(16,17)10-2-5-11(6-3-10)20-12-4-1-9-8-19-18-13(9)7-12/h1-8H
InChIKeyFLFSBEURLPUKPO-UHFFFAOYSA-N
XLogP5.00
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)phenyl]sulfanyl-2,1-benzoxazole?
The IUPAC name of 6-[4-(trifluoromethyl)phenyl]sulfanyl-2,1-benzoxazole (CID 150180102) is 6-[4-(trifluoromethyl)phenyl]sulfanyl-2,1-benzoxazole.
What is the SMILES notation for 6-[4-(trifluoromethyl)phenyl]sulfanyl-2,1-benzoxazole?
The canonical SMILES for 6-[4-(trifluoromethyl)phenyl]sulfanyl-2,1-benzoxazole is FC(F)(F)c1ccc(Sc2ccc3conc3c2)cc1.
What is the InChIKey of 6-[4-(trifluoromethyl)phenyl]sulfanyl-2,1-benzoxazole?
The InChIKey is FLFSBEURLPUKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NOS/c15-14(16,17)10-2-5-11(6-3-10)20-12-4-1-9-8-19-18-13(9)7-12/h1-8H.
What are the key properties of 6-[4-(trifluoromethyl)phenyl]sulfanyl-2,1-benzoxazole?
6-[4-(trifluoromethyl)phenyl]sulfanyl-2,1-benzoxazole has a molecular weight of 295.29 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)phenyl]sulfanyl-2,1-benzoxazole is sourced from PubChem (CID 150180102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).