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

C25H19F3N2O2 — CID 53322240

IUPAC5-(4-methoxyphenyl)-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2CC(c3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)=NO2)cc1
InChIInChI=1S/C25H19F3N2O2/c1-31-19-11-9-16(10-12-19)24-14-22(29-32-24)21-15-30(23-8-3-2-7-20(21)23)18-6-4-5-17(13-18)25(26,27)28/h2-13,15,24H,14H2,1H3
InChIKeyHFIPEEBYEWGBEK-UHFFFAOYSA-N
MW436.43 g/mol
LogP6.52
Rot. Bonds4

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

5-(4-methoxyphenyl)-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole (PubChem CID 53322240) has the molecular formula C25H19F3N2O2 and a molecular weight of 436.43 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole
PubChem CID53322240
Molecular FormulaC25H19F3N2O2
Molecular Weight436.43 g/mol
Exact Mass436.14
IUPAC Name5-(4-methoxyphenyl)-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2CC(c3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)=NO2)cc1
InChIInChI=1S/C25H19F3N2O2/c1-31-19-11-9-16(10-12-19)24-14-22(29-32-24)21-15-30(23-8-3-2-7-20(21)23)18-6-4-5-17(13-18)25(26,27)28/h2-13,15,24H,14H2,1H3
InChIKeyHFIPEEBYEWGBEK-UHFFFAOYSA-N
XLogP6.52
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.43
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-phenyl-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole
CID 53322241
5-(4-methoxyphenyl)-3-(5-methyl-1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole
CID 122372985
(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 102399279
methyl 1-[3-(trifluoromethyl)phenyl]indole-3-carboxylate
CID 24895075
3-(furan-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 53316962
3-indol-1-yl-1-[3-(trifluoromethyl)phenyl]indole
CID 175965802
1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole
CID 59307597
5-(4-methoxyphenyl)-3-[4-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,2-oxazole
CID 10414821
(1S)-6,7-dimethoxy-1-(4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroisoquinolin-3-one
CID 92670266
5-[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]aniline
CID 155344427
3-(7-ethoxy-3-phenyl-1H-indol-2-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 135445166
3-(furan-3-yl)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 53247691

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(4-methoxyphenyl)-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole (CID 53322240) is 5-(4-methoxyphenyl)-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(4-methoxyphenyl)-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole is COc1ccc(C2CC(c3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)=NO2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole?
The InChIKey is HFIPEEBYEWGBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O2/c1-31-19-11-9-16(10-12-19)24-14-22(29-32-24)21-15-30(23-8-3-2-7-20(21)23)18-6-4-5-17(13-18)25(26,27)28/h2-13,15,24H,14H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole?
5-(4-methoxyphenyl)-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole has a molecular weight of 436.43 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 53322240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).