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

C24H17F3N2O — CID 53322241

IUPAC5-phenyl-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole
SMILESFC(F)(F)c1cccc(-n2cc(C3=NOC(c4ccccc4)C3)c3ccccc32)c1
InChIInChI=1S/C24H17F3N2O/c25-24(26,27)17-9-6-10-18(13-17)29-15-20(19-11-4-5-12-22(19)29)21-14-23(30-28-21)16-7-2-1-3-8-16/h1-13,15,23H,14H2
InChIKeyTYSHNHPQFVHZIO-UHFFFAOYSA-N
MW406.41 g/mol
LogP6.51
Rot. Bonds3

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

5-phenyl-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole (PubChem CID 53322241) has the molecular formula C24H17F3N2O and a molecular weight of 406.41 g/mol. Its IUPAC name is 5-phenyl-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole
PubChem CID53322241
Molecular FormulaC24H17F3N2O
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC Name5-phenyl-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole
SMILESFC(F)(F)c1cccc(-n2cc(C3=NOC(c4ccccc4)C3)c3ccccc32)c1
InChIInChI=1S/C24H17F3N2O/c25-24(26,27)17-9-6-10-18(13-17)29-15-20(19-11-4-5-12-22(19)29)21-14-23(30-28-21)16-7-2-1-3-8-16/h1-13,15,23H,14H2
InChIKeyTYSHNHPQFVHZIO-UHFFFAOYSA-N
XLogP6.51
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.41
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-phenyl-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole (CID 53322241) is 5-phenyl-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-phenyl-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-phenyl-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole is FC(F)(F)c1cccc(-n2cc(C3=NOC(c4ccccc4)C3)c3ccccc32)c1.
What is the InChIKey of 5-phenyl-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole?
The InChIKey is TYSHNHPQFVHZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O/c25-24(26,27)17-9-6-10-18(13-17)29-15-20(19-11-4-5-12-22(19)29)21-14-23(30-28-21)16-7-2-1-3-8-16/h1-13,15,23H,14H2.
What are the key properties of 5-phenyl-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole?
5-phenyl-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole has a molecular weight of 406.41 g/mol, XLogP of 6.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 53322241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).