5-ethyl-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-imine

C19H19F3N2O2 — CID 14374219

IUPAC5-ethyl-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-imine
SMILESCCC1CN(c2cccc(C(F)(F)F)c2)/C(=N/c2ccc(OC)cc2)O1
InChIInChI=1S/C19H19F3N2O2/c1-3-16-12-24(15-6-4-5-13(11-15)19(20,21)22)18(26-16)23-14-7-9-17(25-2)10-8-14/h4-11,16H,3,12H2,1-2H3/b23-18-
InChIKeyKFUNYSQNBQHQSJ-NKFKGCMQSA-N
MW364.37 g/mol
LogP5.02
Rot. Bonds4

About 5-ethyl-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-imine

5-ethyl-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-imine (PubChem CID 14374219) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 5-ethyl-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-imine.

Molecular Properties

Compound Name5-ethyl-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-imine
PubChem CID14374219
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name5-ethyl-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-imine
SMILESCCC1CN(c2cccc(C(F)(F)F)c2)/C(=N/c2ccc(OC)cc2)O1
InChIInChI=1S/C19H19F3N2O2/c1-3-16-12-24(15-6-4-5-13(11-15)19(20,21)22)18(26-16)23-14-7-9-17(25-2)10-8-14/h4-11,16H,3,12H2,1-2H3/b23-18-
InChIKeyKFUNYSQNBQHQSJ-NKFKGCMQSA-N
XLogP5.02
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.37
LogP ≤ 55.02
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 5-ethyl-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-imine?
The IUPAC name of 5-ethyl-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-imine (CID 14374219) is 5-ethyl-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-imine.
What is the SMILES notation for 5-ethyl-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-imine?
The canonical SMILES for 5-ethyl-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-imine is CCC1CN(c2cccc(C(F)(F)F)c2)/C(=N/c2ccc(OC)cc2)O1.
What is the InChIKey of 5-ethyl-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-imine?
The InChIKey is KFUNYSQNBQHQSJ-NKFKGCMQSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-3-16-12-24(15-6-4-5-13(11-15)19(20,21)22)18(26-16)23-14-7-9-17(25-2)10-8-14/h4-11,16H,3,12H2,1-2H3/b23-18-.
What are the key properties of 5-ethyl-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-imine?
5-ethyl-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-imine has a molecular weight of 364.37 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-imine is sourced from PubChem (CID 14374219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).