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

C19H17NO2 — CID 711982

IUPAC(4E)-2-phenyl-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCC(C)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C19H17NO2/c1-13(2)15-10-8-14(9-11-15)12-17-19(21)22-18(20-17)16-6-4-3-5-7-16/h3-13H,1-2H3/b17-12+
InChIKeyYQFBCPLZOMNPEZ-SFQUDFHCSA-N
MW291.35 g/mol
LogP4.15
Rot. Bonds3

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

(4E)-2-phenyl-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 711982) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (4E)-2-phenyl-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-phenyl-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID711982
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name(4E)-2-phenyl-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCC(C)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C19H17NO2/c1-13(2)15-10-8-14(9-11-15)12-17-19(21)22-18(20-17)16-6-4-3-5-7-16/h3-13H,1-2H3/b17-12+
InChIKeyYQFBCPLZOMNPEZ-SFQUDFHCSA-N
XLogP4.15
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.15
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 (4E)-2-phenyl-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-phenyl-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one (CID 711982) is (4E)-2-phenyl-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-phenyl-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-phenyl-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one is CC(C)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1.
What is the InChIKey of (4E)-2-phenyl-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is YQFBCPLZOMNPEZ-SFQUDFHCSA-N. The full InChI is InChI=1S/C19H17NO2/c1-13(2)15-10-8-14(9-11-15)12-17-19(21)22-18(20-17)16-6-4-3-5-7-16/h3-13H,1-2H3/b17-12+.
What are the key properties of (4E)-2-phenyl-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one?
(4E)-2-phenyl-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 291.35 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-phenyl-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 711982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).