4-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline

C20H17F3N2O2 — CID 156768718

IUPAC4-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline
SMILESCOc1ccc(NCc2coc(/C=C/c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C20H17F3N2O2/c1-26-18-9-7-16(8-10-18)24-12-17-13-27-19(25-17)11-4-14-2-5-15(6-3-14)20(21,22)23/h2-11,13,24H,12H2,1H3/b11-4+
InChIKeyBHBAKAMXKOEGOS-NYYWCZLTSA-N
MW374.36 g/mol
LogP5.48
Rot. Bonds6

About 4-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline

4-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline (PubChem CID 156768718) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 4-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline
PubChem CID156768718
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name4-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline
SMILESCOc1ccc(NCc2coc(/C=C/c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C20H17F3N2O2/c1-26-18-9-7-16(8-10-18)24-12-17-13-27-19(25-17)11-4-14-2-5-15(6-3-14)20(21,22)23/h2-11,13,24H,12H2,1H3/b11-4+
InChIKeyBHBAKAMXKOEGOS-NYYWCZLTSA-N
XLogP5.48
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.36
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline 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

2-methyl-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline
CID 156768722
3-methyl-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline
CID 156768725
5-[(4-Methoxyphenyl)amino]-2-[2-(2-methoxyphenyl)vinyl]-1,3-oxazole-4-carbonitrile
CID 5742116
5-[(4-methoxyphenyl)amino]-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 6200348
5-[(4-ethoxyphenyl)amino]-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16013795
3-fluoro-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline
CID 156768710
N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline
CID 156768711
4-methyl-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline
CID 156768713
2-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline
CID 156768715
2-fluoro-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline
CID 156768716
4-fluoro-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline
CID 156768720
2-[(E)-2-(4-fluorophenyl)ethenyl]-5-[(4-methoxyphenyl)amino]-1,3-oxazole-4-carbonitrile
CID 16013785

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline?
The IUPAC name of 4-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline (CID 156768718) is 4-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline.
What is the SMILES notation for 4-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline?
The canonical SMILES for 4-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline is COc1ccc(NCc2coc(/C=C/c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 4-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline?
The InChIKey is BHBAKAMXKOEGOS-NYYWCZLTSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c1-26-18-9-7-16(8-10-18)24-12-17-13-27-19(25-17)11-4-14-2-5-15(6-3-14)20(21,22)23/h2-11,13,24H,12H2,1H3/b11-4+.
What are the key properties of 4-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline?
4-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline has a molecular weight of 374.36 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline is sourced from PubChem (CID 156768718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).