4-[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3-oxazole

C16H10F3NO — CID 11460438

IUPAC4-[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3-oxazole
SMILESFC(F)(F)c1ccccc1-c1cccc(-c2cocn2)c1
InChIInChI=1S/C16H10F3NO/c17-16(18,19)14-7-2-1-6-13(14)11-4-3-5-12(8-11)15-9-21-10-20-15/h1-10H
InChIKeySRZDIBWHWBVAAW-UHFFFAOYSA-N
MW289.26 g/mol
LogP5.03
Rot. Bonds2

About 4-[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3-oxazole

4-[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3-oxazole (PubChem CID 11460438) has the molecular formula C16H10F3NO and a molecular weight of 289.26 g/mol. Its IUPAC name is 4-[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3-oxazole
PubChem CID11460438
Molecular FormulaC16H10F3NO
Molecular Weight289.26 g/mol
Exact Mass289.07
IUPAC Name4-[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3-oxazole
SMILESFC(F)(F)c1ccccc1-c1cccc(-c2cocn2)c1
InChIInChI=1S/C16H10F3NO/c17-16(18,19)14-7-2-1-6-13(14)11-4-3-5-12(8-11)15-9-21-10-20-15/h1-10H
InChIKeySRZDIBWHWBVAAW-UHFFFAOYSA-N
XLogP5.03
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.26
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3-oxazole?
The IUPAC name of 4-[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3-oxazole (CID 11460438) is 4-[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3-oxazole.
What is the SMILES notation for 4-[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3-oxazole?
The canonical SMILES for 4-[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3-oxazole is FC(F)(F)c1ccccc1-c1cccc(-c2cocn2)c1.
What is the InChIKey of 4-[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3-oxazole?
The InChIKey is SRZDIBWHWBVAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO/c17-16(18,19)14-7-2-1-6-13(14)11-4-3-5-12(8-11)15-9-21-10-20-15/h1-10H.
What are the key properties of 4-[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3-oxazole?
4-[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3-oxazole has a molecular weight of 289.26 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3-oxazole is sourced from PubChem (CID 11460438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).