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

C23H17NO3 — CID 2244767

IUPAC(4Z)-3-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H17NO3/c25-23-21(22(24-27-23)19-9-5-2-6-10-19)15-17-11-13-20(14-12-17)26-16-18-7-3-1-4-8-18/h1-15H,16H2/b21-15-
InChIKeyQMUPHABYGOSATD-QNGOZBTKSA-N
MW355.39 g/mol
LogP4.61
Rot. Bonds5

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

(4Z)-3-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one (PubChem CID 2244767) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is (4Z)-3-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-3-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one
PubChem CID2244767
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Name(4Z)-3-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H17NO3/c25-23-21(22(24-27-23)19-9-5-2-6-10-19)15-17-11-13-20(14-12-17)26-16-18-7-3-1-4-8-18/h1-15H,16H2/b21-15-
InChIKeyQMUPHABYGOSATD-QNGOZBTKSA-N
XLogP4.61
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-(3-ethoxy-4-methoxybenzylidene)-3-phenyl-1,2-oxazol-5(4H)-one
CID 685684
(4E)-4-(2-furanylmethylidene)-3-phenyl-5-isoxazolone
CID 1834882
(4E)-4-(furan-2-ylmethylidene)-3-phenyl-1,2-oxazol-5-one
CID 1834885
2-{4-[(5-Oxo-3-phenylisoxazol-4-ylidene)methyl]phenoxy}acetamide
CID 5292830
1-phenylethanone O-(4-methoxybenzoyl)oxime
CID 5412057
ethyl 1-(methylnitroso)-3-phenyl-6-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-1H-indene-2-carboxylate
CID 11524965
ethyl (1E)-6-methoxy-1-[methyl(oxido)imino]-3-phenyl-1H-indene-2-carboxylate
CID 11530143
ethyl 1-(methylnitroso)-3-(4-methylphenyl)-6-(3-phenylpropoxy)-1H-indene-2-carboxylate
CID 11597691
ethyl 3-ethyl-1-(methylnitroso)-6-(3-phenylpropoxy)-1H-indene-2-carboxylate
CID 11632586
ethyl 1-(methylnitroso)-3-phenyl-6-(2-phenylethoxy)-1H-indene-2-carboxylate
CID 11647600
ethyl 1-(methylnitroso)-3-phenyl-6-(3-phenylpropoxy)-1H-indene-2-carboxylate
CID 11697915
ethyl 1-(methylnitroso)-3-(pentan-3-yl)-6-(3-phenylpropoxy)-1H-indene-2-carboxylate
CID 11704765

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one?
The IUPAC name of (4Z)-3-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one (CID 2244767) is (4Z)-3-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one.
What is the SMILES notation for (4Z)-3-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one?
The canonical SMILES for (4Z)-3-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one is O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (4Z)-3-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one?
The InChIKey is QMUPHABYGOSATD-QNGOZBTKSA-N. The full InChI is InChI=1S/C23H17NO3/c25-23-21(22(24-27-23)19-9-5-2-6-10-19)15-17-11-13-20(14-12-17)26-16-18-7-3-1-4-8-18/h1-15H,16H2/b21-15-.
What are the key properties of (4Z)-3-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one?
(4Z)-3-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one has a molecular weight of 355.39 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]-1,2-oxazol-5-one is sourced from PubChem (CID 2244767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).