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

C24H27F3N2O — CID 139985829

IUPAC2,6-di(propan-2-yl)-N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline
SMILESCC(C)c1cccc(C(C)C)c1NC(=CC1=NC(c2ccccc2)CO1)C(F)(F)F
InChIInChI=1S/C24H27F3N2O/c1-15(2)18-11-8-12-19(16(3)4)23(18)29-21(24(25,26)27)13-22-28-20(14-30-22)17-9-6-5-7-10-17/h5-13,15-16,20,29H,14H2,1-4H3
InChIKeyCJFSOISCYCYPGP-UHFFFAOYSA-N
MW416.49 g/mol
LogP6.96
Rot. Bonds6

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

2,6-di(propan-2-yl)-N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline (PubChem CID 139985829) has the molecular formula C24H27F3N2O and a molecular weight of 416.49 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-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-di(propan-2-yl)-N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline
PubChem CID139985829
Molecular FormulaC24H27F3N2O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name2,6-di(propan-2-yl)-N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline
SMILESCC(C)c1cccc(C(C)C)c1NC(=CC1=NC(c2ccccc2)CO1)C(F)(F)F
InChIInChI=1S/C24H27F3N2O/c1-15(2)18-11-8-12-19(16(3)4)23(18)29-21(24(25,26)27)13-22-28-20(14-30-22)17-9-6-5-7-10-17/h5-13,15-16,20,29H,14H2,1-4H3
InChIKeyCJFSOISCYCYPGP-UHFFFAOYSA-N
XLogP6.96
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.49
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trimethyl-N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline
CID 139985778
N-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]-2,6-di(propan-2-yl)aniline
CID 139985852
2,3,4,5,6-pentafluoro-N-[1-phenyl-2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)ethenyl]aniline
CID 139985783
N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-2,6-di(propan-2-yl)aniline
CID 12074470
dibromonickel;N-[2,6-di(propan-2-yl)phenyl]-1-phenyl-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methanimine
CID 140820925
3-phenyl-5-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one
CID 58508366
[(E)-2-[2,6-di(propan-2-yl)anilino]prop-1-enyl]-triphenylphosphanium
CID 87626126
copper;(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate);dihydrate
CID 11274257
2-[(Z)-[(3Z)-5,6-dimethyl-3-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methylidene]isoindol-1-ylidene]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 155885294
N-[5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]-2,6-di(propan-2-yl)aniline
CID 72959562
1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
CID 59919098
N-(1-phenylethenyl)-2,6-di(propan-2-yl)aniline
CID 102155026

Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-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-di(propan-2-yl)-N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline (CID 139985829) is 2,6-di(propan-2-yl)-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-di(propan-2-yl)-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-di(propan-2-yl)-N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline is CC(C)c1cccc(C(C)C)c1NC(=CC1=NC(c2ccccc2)CO1)C(F)(F)F.
What is the InChIKey of 2,6-di(propan-2-yl)-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 CJFSOISCYCYPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O/c1-15(2)18-11-8-12-19(16(3)4)23(18)29-21(24(25,26)27)13-22-28-20(14-30-22)17-9-6-5-7-10-17/h5-13,15-16,20,29H,14H2,1-4H3.
What are the key properties of 2,6-di(propan-2-yl)-N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline?
2,6-di(propan-2-yl)-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 416.49 g/mol, XLogP of 6.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-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 139985829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).