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

C19H17NO3 — CID 126095349

IUPAC(4E)-3-phenyl-4-[(3-propoxyphenyl)methylidene]-1,2-oxazol-5-one
SMILESCCCOc1cccc(/C=C2/C(=O)ON=C2c2ccccc2)c1
InChIInChI=1S/C19H17NO3/c1-2-11-22-16-10-6-7-14(12-16)13-17-18(20-23-19(17)21)15-8-4-3-5-9-15/h3-10,12-13H,2,11H2,1H3/b17-13+
InChIKeyGVNJFKOVDITZCB-GHRIWEEISA-N
MW307.35 g/mol
LogP3.82
Rot. Bonds5

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

(4E)-3-phenyl-4-[(3-propoxyphenyl)methylidene]-1,2-oxazol-5-one (PubChem CID 126095349) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (4E)-3-phenyl-4-[(3-propoxyphenyl)methylidene]-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4E)-3-phenyl-4-[(3-propoxyphenyl)methylidene]-1,2-oxazol-5-one
PubChem CID126095349
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name(4E)-3-phenyl-4-[(3-propoxyphenyl)methylidene]-1,2-oxazol-5-one
SMILESCCCOc1cccc(/C=C2/C(=O)ON=C2c2ccccc2)c1
InChIInChI=1S/C19H17NO3/c1-2-11-22-16-10-6-7-14(12-16)13-17-18(20-23-19(17)21)15-8-4-3-5-9-15/h3-10,12-13H,2,11H2,1H3/b17-13+
InChIKeyGVNJFKOVDITZCB-GHRIWEEISA-N
XLogP3.82
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.82
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

4-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 4035773
(4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 126088073
(4Z)-4-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 679281
(4Z)-2-(4-phenylphenyl)-4-[(3-propoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19665302
4-benzylidene-3-(4-phenylphenyl)-1,2-oxazol-5-one
CID 4268049
(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 685684
4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 2933283
4-[(4-hexoxyphenyl)methylidene]-3-(3-nitrophenyl)-1,2-oxazol-5-one
CID 171131862
(4Z)-2-(4-methylphenyl)-4-[(3-propoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2203807
(4E)-3-phenyl-4-propylidene-1,2-oxazol-5-one
CID 88977221
(4E)-4-benzylidene-3-(4-chlorophenyl)-1,2-oxazol-5-one
CID 678394
4-[(4-fluoro-3-phenoxyphenyl)methylidene]-3-(4-methylphenyl)-1,2-oxazol-5-one
CID 576693

Frequently Asked Questions

What is the IUPAC name of (4E)-3-phenyl-4-[(3-propoxyphenyl)methylidene]-1,2-oxazol-5-one?
The IUPAC name of (4E)-3-phenyl-4-[(3-propoxyphenyl)methylidene]-1,2-oxazol-5-one (CID 126095349) is (4E)-3-phenyl-4-[(3-propoxyphenyl)methylidene]-1,2-oxazol-5-one.
What is the SMILES notation for (4E)-3-phenyl-4-[(3-propoxyphenyl)methylidene]-1,2-oxazol-5-one?
The canonical SMILES for (4E)-3-phenyl-4-[(3-propoxyphenyl)methylidene]-1,2-oxazol-5-one is CCCOc1cccc(/C=C2/C(=O)ON=C2c2ccccc2)c1.
What is the InChIKey of (4E)-3-phenyl-4-[(3-propoxyphenyl)methylidene]-1,2-oxazol-5-one?
The InChIKey is GVNJFKOVDITZCB-GHRIWEEISA-N. The full InChI is InChI=1S/C19H17NO3/c1-2-11-22-16-10-6-7-14(12-16)13-17-18(20-23-19(17)21)15-8-4-3-5-9-15/h3-10,12-13H,2,11H2,1H3/b17-13+.
What are the key properties of (4E)-3-phenyl-4-[(3-propoxyphenyl)methylidene]-1,2-oxazol-5-one?
(4E)-3-phenyl-4-[(3-propoxyphenyl)methylidene]-1,2-oxazol-5-one has a molecular weight of 307.35 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-phenyl-4-[(3-propoxyphenyl)methylidene]-1,2-oxazol-5-one is sourced from PubChem (CID 126095349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).