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

C20H17F3N2O2 — CID 156768715

IUPAC2-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline
SMILESCOc1ccccc1NCc1coc(/C=C/c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H17F3N2O2/c1-26-18-5-3-2-4-17(18)24-12-16-13-27-19(25-16)11-8-14-6-9-15(10-7-14)20(21,22)23/h2-11,13,24H,12H2,1H3/b11-8+
InChIKeyRRVAAWPXOPHXBC-DHZHZOJOSA-N
MW374.36 g/mol
LogP5.48
Rot. Bonds6

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

2-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline (PubChem CID 156768715) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 2-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline.

Molecular Properties

Compound Name2-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline
PubChem CID156768715
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name2-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline
SMILESCOc1ccccc1NCc1coc(/C=C/c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H17F3N2O2/c1-26-18-5-3-2-4-17(18)24-12-16-13-27-19(25-16)11-8-14-6-9-15(10-7-14)20(21,22)23/h2-11,13,24H,12H2,1H3/b11-8+
InChIKeyRRVAAWPXOPHXBC-DHZHZOJOSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline?
The IUPAC name of 2-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline (CID 156768715) is 2-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline.
What is the SMILES notation for 2-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline?
The canonical SMILES for 2-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline is COc1ccccc1NCc1coc(/C=C/c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline?
The InChIKey is RRVAAWPXOPHXBC-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c1-26-18-5-3-2-4-17(18)24-12-16-13-27-19(25-16)11-8-14-6-9-15(10-7-14)20(21,22)23/h2-11,13,24H,12H2,1H3/b11-8+.
What are the key properties of 2-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline?
2-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 2-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline is sourced from PubChem (CID 156768715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).