3-phenyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole

C16H12F3NO — CID 123417533

IUPAC3-phenyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
SMILESFC(F)(F)c1ccc(C2C=C(c3ccccc3)NO2)cc1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-8-6-12(7-9-13)15-10-14(20-21-15)11-4-2-1-3-5-11/h1-10,15,20H
InChIKeyYMPSYRBTQVJZPK-UHFFFAOYSA-N
MW291.27 g/mol
LogP4.32
Rot. Bonds2

About 3-phenyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole

3-phenyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole (PubChem CID 123417533) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is 3-phenyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
PubChem CID123417533
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name3-phenyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
SMILESFC(F)(F)c1ccc(C2C=C(c3ccccc3)NO2)cc1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-8-6-12(7-9-13)15-10-14(20-21-15)11-4-2-1-3-5-11/h1-10,15,20H
InChIKeyYMPSYRBTQVJZPK-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-phenyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole (CID 123417533) is 3-phenyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole is FC(F)(F)c1ccc(C2C=C(c3ccccc3)NO2)cc1.
What is the InChIKey of 3-phenyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole?
The InChIKey is YMPSYRBTQVJZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO/c17-16(18,19)13-8-6-12(7-9-13)15-10-14(20-21-15)11-4-2-1-3-5-11/h1-10,15,20H.
What are the key properties of 3-phenyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole?
3-phenyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole has a molecular weight of 291.27 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 123417533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).