2,6-diphenyl-N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline

C30H23F3N2O — CID 139985720

IUPAC2,6-diphenyl-N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline
SMILESFC(F)(F)C(=CC1=NC(c2ccccc2)CO1)Nc1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C30H23F3N2O/c31-30(32,33)27(19-28-34-26(20-36-28)23-15-8-3-9-16-23)35-29-24(21-11-4-1-5-12-21)17-10-18-25(29)22-13-6-2-7-14-22/h1-19,26,35H,20H2
InChIKeyCHFHFCZBDYLDTK-UHFFFAOYSA-N
MW484.52 g/mol
LogP8.05
Rot. Bonds6

About 2,6-diphenyl-N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline

2,6-diphenyl-N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline (PubChem CID 139985720) has the molecular formula C30H23F3N2O and a molecular weight of 484.52 g/mol. Its IUPAC name is 2,6-diphenyl-N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline.

Molecular Properties

Compound Name2,6-diphenyl-N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline
PubChem CID139985720
Molecular FormulaC30H23F3N2O
Molecular Weight484.52 g/mol
Exact Mass484.18
IUPAC Name2,6-diphenyl-N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline
SMILESFC(F)(F)C(=CC1=NC(c2ccccc2)CO1)Nc1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C30H23F3N2O/c31-30(32,33)27(19-28-34-26(20-36-28)23-15-8-3-9-16-23)35-29-24(21-11-4-1-5-12-21)17-10-18-25(29)22-13-6-2-7-14-22/h1-19,26,35H,20H2
InChIKeyCHFHFCZBDYLDTK-UHFFFAOYSA-N
XLogP8.05
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 58.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline?
The IUPAC name of 2,6-diphenyl-N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline (CID 139985720) is 2,6-diphenyl-N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline.
What is the SMILES notation for 2,6-diphenyl-N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline?
The canonical SMILES for 2,6-diphenyl-N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline is FC(F)(F)C(=CC1=NC(c2ccccc2)CO1)Nc1c(-c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of 2,6-diphenyl-N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline?
The InChIKey is CHFHFCZBDYLDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N2O/c31-30(32,33)27(19-28-34-26(20-36-28)23-15-8-3-9-16-23)35-29-24(21-11-4-1-5-12-21)17-10-18-25(29)22-13-6-2-7-14-22/h1-19,26,35H,20H2.
What are the key properties of 2,6-diphenyl-N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline?
2,6-diphenyl-N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline has a molecular weight of 484.52 g/mol, XLogP of 8.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline is sourced from PubChem (CID 139985720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).