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

C17H10F3NO2 — CID 5396549

IUPAC(4Z)-2-phenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H10F3NO2/c18-17(19,20)13-8-6-11(7-9-13)10-14-16(22)23-15(21-14)12-4-2-1-3-5-12/h1-10H/b14-10-
InChIKeyHHCMKNGNVCTEOH-UVTDQMKNSA-N
MW317.27 g/mol
LogP4.05
Rot. Bonds2

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

(4Z)-2-phenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one (PubChem CID 5396549) has the molecular formula C17H10F3NO2 and a molecular weight of 317.27 g/mol. Its IUPAC name is (4Z)-2-phenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-phenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
PubChem CID5396549
Molecular FormulaC17H10F3NO2
Molecular Weight317.27 g/mol
Exact Mass317.07
IUPAC Name(4Z)-2-phenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H10F3NO2/c18-17(19,20)13-8-6-11(7-9-13)10-14-16(22)23-15(21-14)12-4-2-1-3-5-12/h1-10H/b14-10-
InChIKeyHHCMKNGNVCTEOH-UVTDQMKNSA-N
XLogP4.05
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 54.05
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)-2-phenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-phenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one (CID 5396549) is (4Z)-2-phenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-phenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-phenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=N/C1=C\c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4Z)-2-phenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one?
The InChIKey is HHCMKNGNVCTEOH-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H10F3NO2/c18-17(19,20)13-8-6-11(7-9-13)10-14-16(22)23-15(21-14)12-4-2-1-3-5-12/h1-10H/b14-10-.
What are the key properties of (4Z)-2-phenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one?
(4Z)-2-phenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one has a molecular weight of 317.27 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-phenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 5396549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).