(4Z)-2-naphthalen-2-yl-4-[(3-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one

C23H17NO3 — CID 2199434

IUPAC(4Z)-2-naphthalen-2-yl-4-[(3-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESC=CCOc1cccc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)c1
InChIInChI=1S/C23H17NO3/c1-2-12-26-20-9-5-6-16(13-20)14-21-23(25)27-22(24-21)19-11-10-17-7-3-4-8-18(17)15-19/h2-11,13-15H,1,12H2/b21-14-
InChIKeyXUOBAHLSWZEURX-STZFKDTASA-N
MW355.39 g/mol
LogP4.75
Rot. Bonds5

About (4Z)-2-naphthalen-2-yl-4-[(3-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one

(4Z)-2-naphthalen-2-yl-4-[(3-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 2199434) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is (4Z)-2-naphthalen-2-yl-4-[(3-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-naphthalen-2-yl-4-[(3-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID2199434
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Name(4Z)-2-naphthalen-2-yl-4-[(3-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESC=CCOc1cccc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)c1
InChIInChI=1S/C23H17NO3/c1-2-12-26-20-9-5-6-16(13-20)14-21-23(25)27-22(24-21)19-11-10-17-7-3-4-8-18(17)15-19/h2-11,13-15H,1,12H2/b21-14-
InChIKeyXUOBAHLSWZEURX-STZFKDTASA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4Z)-2-naphthalen-2-yl-4-[(4-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2199460
(4Z)-2-(3,4-dichlorophenyl)-4-[(3-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19672599
2-(4-iodophenyl)-4-[(3-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2875207
4-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 3115203
(4Z)-4-benzylidene-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 9313248
(4Z)-2-(3-methyl-4-nitrophenyl)-4-[(3-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19667294
(4Z)-4-[(3-prop-2-enoxyphenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one
CID 6212811
4-[(3-fluorophenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 794034
(4Z)-4-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 19674957
(4Z)-2-(4-phenylphenyl)-4-[(3-propoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19665302
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 9313256
(4E)-2-(3-iodophenyl)-4-[(4-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2203438

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-naphthalen-2-yl-4-[(3-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-naphthalen-2-yl-4-[(3-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one (CID 2199434) is (4Z)-2-naphthalen-2-yl-4-[(3-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-naphthalen-2-yl-4-[(3-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-naphthalen-2-yl-4-[(3-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one is C=CCOc1cccc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)c1.
What is the InChIKey of (4Z)-2-naphthalen-2-yl-4-[(3-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is XUOBAHLSWZEURX-STZFKDTASA-N. The full InChI is InChI=1S/C23H17NO3/c1-2-12-26-20-9-5-6-16(13-20)14-21-23(25)27-22(24-21)19-11-10-17-7-3-4-8-18(17)15-19/h2-11,13-15H,1,12H2/b21-14-.
What are the key properties of (4Z)-2-naphthalen-2-yl-4-[(3-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-naphthalen-2-yl-4-[(3-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 355.39 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-naphthalen-2-yl-4-[(3-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 2199434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).