N-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine

C24H17F3N2O — CID 50992468

IUPACN-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(/C=N/C(c2ccccc2)c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C24H17F3N2O/c25-24(26,27)20-13-11-17(12-14-20)16-28-23(19-9-5-2-6-10-19)21-15-22(30-29-21)18-7-3-1-4-8-18/h1-16,23H/b28-16+
InChIKeyUIGBTOMKEIFYCB-LQKURTRISA-N
MW406.41 g/mol
LogP6.57
Rot. Bonds5

About N-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine

N-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 50992468) has the molecular formula C24H17F3N2O and a molecular weight of 406.41 g/mol. Its IUPAC name is N-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID50992468
Molecular FormulaC24H17F3N2O
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC NameN-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(/C=N/C(c2ccccc2)c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C24H17F3N2O/c25-24(26,27)20-13-11-17(12-14-20)16-28-23(19-9-5-2-6-10-19)21-15-22(30-29-21)18-7-3-1-4-8-18/h1-16,23H/b28-16+
InChIKeyUIGBTOMKEIFYCB-LQKURTRISA-N
XLogP6.57
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.41
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine (CID 50992468) is N-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1ccc(/C=N/C(c2ccccc2)c2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of N-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is UIGBTOMKEIFYCB-LQKURTRISA-N. The full InChI is InChI=1S/C24H17F3N2O/c25-24(26,27)20-13-11-17(12-14-20)16-28-23(19-9-5-2-6-10-19)21-15-22(30-29-21)18-7-3-1-4-8-18/h1-16,23H/b28-16+.
What are the key properties of N-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine?
N-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 406.41 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 50992468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).