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

C22H23NO3 — CID 19668309

IUPAC(4Z)-2-(4-propan-2-ylphenyl)-4-[(3-propoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCCCOc1cccc(/C=C2\N=C(c3ccc(C(C)C)cc3)OC2=O)c1
InChIInChI=1S/C22H23NO3/c1-4-12-25-19-7-5-6-16(13-19)14-20-22(24)26-21(23-20)18-10-8-17(9-11-18)15(2)3/h5-11,13-15H,4,12H2,1-3H3/b20-14-
InChIKeyZVRWFIJJMMFISW-ZHZULCJRSA-N
MW349.43 g/mol
LogP4.94
Rot. Bonds6

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

(4Z)-2-(4-propan-2-ylphenyl)-4-[(3-propoxyphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 19668309) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is (4Z)-2-(4-propan-2-ylphenyl)-4-[(3-propoxyphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(4-propan-2-ylphenyl)-4-[(3-propoxyphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID19668309
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name(4Z)-2-(4-propan-2-ylphenyl)-4-[(3-propoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCCCOc1cccc(/C=C2\N=C(c3ccc(C(C)C)cc3)OC2=O)c1
InChIInChI=1S/C22H23NO3/c1-4-12-25-19-7-5-6-16(13-19)14-20-22(24)26-21(23-20)18-10-8-17(9-11-18)15(2)3/h5-11,13-15H,4,12H2,1-3H3/b20-14-
InChIKeyZVRWFIJJMMFISW-ZHZULCJRSA-N
XLogP4.94
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.94
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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Related Compounds

(4Z)-2-(4-methylphenyl)-4-[(3-propoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2203807
(4Z)-2-(4-phenylphenyl)-4-[(3-propoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19665302
(4Z)-4-[(4-butoxyphenyl)methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one
CID 19668255
(4Z)-4-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one
CID 19668474
2-(4-butoxyphenyl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3652985
(4Z)-4-[(3-methylphenyl)methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one
CID 19668263
(4Z)-4-[(3,4-diethoxyphenyl)methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one
CID 19668305
2-(4-butoxyphenyl)-4-[(3-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 4537480
(4Z)-2-(3-bromo-4-iodophenyl)-4-[(3-butoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19671371
4-[[3-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 5027561
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one
CID 19668220
4-benzylidene-2-(4-butoxyphenyl)-1,3-oxazol-5-one
CID 3102655

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(4-propan-2-ylphenyl)-4-[(3-propoxyphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(4-propan-2-ylphenyl)-4-[(3-propoxyphenyl)methylidene]-1,3-oxazol-5-one (CID 19668309) is (4Z)-2-(4-propan-2-ylphenyl)-4-[(3-propoxyphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(4-propan-2-ylphenyl)-4-[(3-propoxyphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(4-propan-2-ylphenyl)-4-[(3-propoxyphenyl)methylidene]-1,3-oxazol-5-one is CCCOc1cccc(/C=C2\N=C(c3ccc(C(C)C)cc3)OC2=O)c1.
What is the InChIKey of (4Z)-2-(4-propan-2-ylphenyl)-4-[(3-propoxyphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is ZVRWFIJJMMFISW-ZHZULCJRSA-N. The full InChI is InChI=1S/C22H23NO3/c1-4-12-25-19-7-5-6-16(13-19)14-20-22(24)26-21(23-20)18-10-8-17(9-11-18)15(2)3/h5-11,13-15H,4,12H2,1-3H3/b20-14-.
What are the key properties of (4Z)-2-(4-propan-2-ylphenyl)-4-[(3-propoxyphenyl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-(4-propan-2-ylphenyl)-4-[(3-propoxyphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 349.43 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(4-propan-2-ylphenyl)-4-[(3-propoxyphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 19668309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).