(4Z)-2-(4-methoxyphenyl)-4-[[2-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one

C18H12F3NO4 — CID 24561640

IUPAC(4Z)-2-(4-methoxyphenyl)-4-[[2-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one
SMILESCOc1ccc(C2=N/C(=C\c3ccccc3OC(F)(F)F)C(=O)O2)cc1
InChIInChI=1S/C18H12F3NO4/c1-24-13-8-6-11(7-9-13)16-22-14(17(23)25-16)10-12-4-2-3-5-15(12)26-18(19,20)21/h2-10H,1H3/b14-10-
InChIKeyJQZNKNZBJRCDEF-UVTDQMKNSA-N
MW363.29 g/mol
LogP3.94
Rot. Bonds4

About (4Z)-2-(4-methoxyphenyl)-4-[[2-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one

(4Z)-2-(4-methoxyphenyl)-4-[[2-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one (PubChem CID 24561640) has the molecular formula C18H12F3NO4 and a molecular weight of 363.29 g/mol. Its IUPAC name is (4Z)-2-(4-methoxyphenyl)-4-[[2-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(4-methoxyphenyl)-4-[[2-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one
PubChem CID24561640
Molecular FormulaC18H12F3NO4
Molecular Weight363.29 g/mol
Exact Mass363.07
IUPAC Name(4Z)-2-(4-methoxyphenyl)-4-[[2-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one
SMILESCOc1ccc(C2=N/C(=C\c3ccccc3OC(F)(F)F)C(=O)O2)cc1
InChIInChI=1S/C18H12F3NO4/c1-24-13-8-6-11(7-9-13)16-22-14(17(23)25-16)10-12-4-2-3-5-15(12)26-18(19,20)21/h2-10H,1H3/b14-10-
InChIKeyJQZNKNZBJRCDEF-UVTDQMKNSA-N
XLogP3.94
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3875763
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 6514787
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 9313262
[2-[[2-(4-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 1336219
(4E)-2-(4-methoxyphenyl)-4-[(2,3,4,5,6-pentafluorophenyl)methylidene]-1,3-oxazol-5-one
CID 20834596
(4E)-4-[(2-butoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 2199088
4-[(2,5-dimethoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 822677
(4E)-4-[(2,3-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 797131
4-[(3,5-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 4816005
(4Z)-4-[(3,5-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 6214719
(4Z)-2-(4-methoxyphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one
CID 9312649
4-[(2-butoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 4203564

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(4-methoxyphenyl)-4-[[2-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(4-methoxyphenyl)-4-[[2-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one (CID 24561640) is (4Z)-2-(4-methoxyphenyl)-4-[[2-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(4-methoxyphenyl)-4-[[2-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(4-methoxyphenyl)-4-[[2-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one is COc1ccc(C2=N/C(=C\c3ccccc3OC(F)(F)F)C(=O)O2)cc1.
What is the InChIKey of (4Z)-2-(4-methoxyphenyl)-4-[[2-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one?
The InChIKey is JQZNKNZBJRCDEF-UVTDQMKNSA-N. The full InChI is InChI=1S/C18H12F3NO4/c1-24-13-8-6-11(7-9-13)16-22-14(17(23)25-16)10-12-4-2-3-5-15(12)26-18(19,20)21/h2-10H,1H3/b14-10-.
What are the key properties of (4Z)-2-(4-methoxyphenyl)-4-[[2-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one?
(4Z)-2-(4-methoxyphenyl)-4-[[2-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one has a molecular weight of 363.29 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(4-methoxyphenyl)-4-[[2-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 24561640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).