2,4,6-trimethyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline

C29H32N2O — CID 139985734

IUPAC2,4,6-trimethyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline
SMILESCc1cc(C)c(NC(=CC2=NC(c3c(C)cc(C)cc3C)CO2)c2ccccc2)c(C)c1
InChIInChI=1S/C29H32N2O/c1-18-12-20(3)28(21(4)13-18)26-17-32-27(30-26)16-25(24-10-8-7-9-11-24)31-29-22(5)14-19(2)15-23(29)6/h7-16,26,31H,17H2,1-6H3
InChIKeyXNPIGJACRIFTEQ-UHFFFAOYSA-N
MW424.59 g/mol
LogP7.16
Rot. Bonds5

About 2,4,6-trimethyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline

2,4,6-trimethyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline (PubChem CID 139985734) has the molecular formula C29H32N2O and a molecular weight of 424.59 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline
PubChem CID139985734
Molecular FormulaC29H32N2O
Molecular Weight424.59 g/mol
Exact Mass424.25
IUPAC Name2,4,6-trimethyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline
SMILESCc1cc(C)c(NC(=CC2=NC(c3c(C)cc(C)cc3C)CO2)c2ccccc2)c(C)c1
InChIInChI=1S/C29H32N2O/c1-18-12-20(3)28(21(4)13-18)26-17-32-27(30-26)16-25(24-10-8-7-9-11-24)31-29-22(5)14-19(2)15-23(29)6/h7-16,26,31H,17H2,1-6H3
InChIKeyXNPIGJACRIFTEQ-UHFFFAOYSA-N
XLogP7.16
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline?
The IUPAC name of 2,4,6-trimethyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline (CID 139985734) is 2,4,6-trimethyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline.
What is the SMILES notation for 2,4,6-trimethyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline?
The canonical SMILES for 2,4,6-trimethyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline is Cc1cc(C)c(NC(=CC2=NC(c3c(C)cc(C)cc3C)CO2)c2ccccc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline?
The InChIKey is XNPIGJACRIFTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O/c1-18-12-20(3)28(21(4)13-18)26-17-32-27(30-26)16-25(24-10-8-7-9-11-24)31-29-22(5)14-19(2)15-23(29)6/h7-16,26,31H,17H2,1-6H3.
What are the key properties of 2,4,6-trimethyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline?
2,4,6-trimethyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline has a molecular weight of 424.59 g/mol, XLogP of 7.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[1-phenyl-2-[4-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethenyl]aniline is sourced from PubChem (CID 139985734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).