(4E)-4-[[4-(difluoromethoxy)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one

C17H11F2NO3 — CID 2341962

IUPAC(4E)-4-[[4-(difluoromethoxy)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H11F2NO3/c18-17(19)22-13-8-6-11(7-9-13)10-14-16(21)23-15(20-14)12-4-2-1-3-5-12/h1-10,17H/b14-10+
InChIKeyBZFPCDUXWRNKCM-GXDHUFHOSA-N
MW315.28 g/mol
LogP3.63
Rot. Bonds4

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

(4E)-4-[[4-(difluoromethoxy)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 2341962) has the molecular formula C17H11F2NO3 and a molecular weight of 315.28 g/mol. Its IUPAC name is (4E)-4-[[4-(difluoromethoxy)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-[[4-(difluoromethoxy)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID2341962
Molecular FormulaC17H11F2NO3
Molecular Weight315.28 g/mol
Exact Mass315.07
IUPAC Name(4E)-4-[[4-(difluoromethoxy)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H11F2NO3/c18-17(19)22-13-8-6-11(7-9-13)10-14-16(21)23-15(20-14)12-4-2-1-3-5-12/h1-10,17H/b14-10+
InChIKeyBZFPCDUXWRNKCM-GXDHUFHOSA-N
XLogP3.63
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (4E)-4-[[4-(difluoromethoxy)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-[[4-(difluoromethoxy)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one (CID 2341962) is (4E)-4-[[4-(difluoromethoxy)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-[[4-(difluoromethoxy)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-[[4-(difluoromethoxy)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=N/C1=C/c1ccc(OC(F)F)cc1.
What is the InChIKey of (4E)-4-[[4-(difluoromethoxy)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is BZFPCDUXWRNKCM-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H11F2NO3/c18-17(19)22-13-8-6-11(7-9-13)10-14-16(21)23-15(20-14)12-4-2-1-3-5-12/h1-10,17H/b14-10+.
What are the key properties of (4E)-4-[[4-(difluoromethoxy)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
(4E)-4-[[4-(difluoromethoxy)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 315.28 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[4-(difluoromethoxy)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 2341962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).