(4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one

C18H13F4NO2 — CID 177013267

IUPAC(4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one
SMILESCN1/C(=C\c2ccc(F)cc2)C(=O)OC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13F4NO2/c1-23-15(9-11-5-7-14(19)8-6-11)17(24)25-16(23)12-3-2-4-13(10-12)18(20,21)22/h2-10,16H,1H3/b15-9-
InChIKeyYUDOXXFGGQFDSF-DHDCSXOGSA-N
MW351.30 g/mol
LogP4.37
Rot. Bonds2

About (4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one

(4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one (PubChem CID 177013267) has the molecular formula C18H13F4NO2 and a molecular weight of 351.30 g/mol. Its IUPAC name is (4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one
PubChem CID177013267
Molecular FormulaC18H13F4NO2
Molecular Weight351.30 g/mol
Exact Mass351.09
IUPAC Name(4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one
SMILESCN1/C(=C\c2ccc(F)cc2)C(=O)OC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13F4NO2/c1-23-15(9-11-5-7-14(19)8-6-11)17(24)25-16(23)12-3-2-4-13(10-12)18(20,21)22/h2-10,16H,1H3/b15-9-
InChIKeyYUDOXXFGGQFDSF-DHDCSXOGSA-N
XLogP4.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one?
The IUPAC name of (4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one (CID 177013267) is (4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one.
What is the SMILES notation for (4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one?
The canonical SMILES for (4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one is CN1/C(=C\c2ccc(F)cc2)C(=O)OC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of (4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one?
The InChIKey is YUDOXXFGGQFDSF-DHDCSXOGSA-N. The full InChI is InChI=1S/C18H13F4NO2/c1-23-15(9-11-5-7-14(19)8-6-11)17(24)25-16(23)12-3-2-4-13(10-12)18(20,21)22/h2-10,16H,1H3/b15-9-.
What are the key properties of (4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one?
(4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one has a molecular weight of 351.30 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one is sourced from PubChem (CID 177013267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).