(4Z)-2-(3-fluorophenyl)-4-[(4-phenacyloxyphenyl)methylidene]-1,3-oxazol-5-one

C24H16FNO4 — CID 19666103

IUPAC(4Z)-2-(3-fluorophenyl)-4-[(4-phenacyloxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(OCC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H16FNO4/c25-19-8-4-7-18(14-19)23-26-21(24(28)30-23)13-16-9-11-20(12-10-16)29-15-22(27)17-5-2-1-3-6-17/h1-14H,15H2/b21-13-
InChIKeyJMBSEMUSEHDHPB-BKUYFWCQSA-N
MW401.39 g/mol
LogP4.43
Rot. Bonds6

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

(4Z)-2-(3-fluorophenyl)-4-[(4-phenacyloxyphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 19666103) has the molecular formula C24H16FNO4 and a molecular weight of 401.39 g/mol. Its IUPAC name is (4Z)-2-(3-fluorophenyl)-4-[(4-phenacyloxyphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(3-fluorophenyl)-4-[(4-phenacyloxyphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID19666103
Molecular FormulaC24H16FNO4
Molecular Weight401.39 g/mol
Exact Mass401.11
IUPAC Name(4Z)-2-(3-fluorophenyl)-4-[(4-phenacyloxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(OCC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H16FNO4/c25-19-8-4-7-18(14-19)23-26-21(24(28)30-23)13-16-9-11-20(12-10-16)29-15-22(27)17-5-2-1-3-6-17/h1-14H,15H2/b21-13-
InChIKeyJMBSEMUSEHDHPB-BKUYFWCQSA-N
XLogP4.43
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-2-(4-iodophenyl)-4-[(4-phenacyloxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19670889
(4Z)-2-(3-fluorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 17379354
(4E)-2-(3-fluorophenyl)-4-[(4-pentoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6046867
2-(3-fluorophenyl)-4-[(4-hexoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3905340
[4-[(Z)-[2-(3-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 4-fluorobenzoate
CID 2257911
[4-[(Z)-[2-(3-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 4-methoxybenzoate
CID 986987
(4Z)-4-[[4-[(3-bromophenyl)methoxy]phenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 19665929
4-[(4-bromophenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 740147
2-(3-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3106121
2-(3-bromophenyl)-4-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 5068286
4-[(4-butoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3093027
4-[(3-ethoxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 2875487

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(3-fluorophenyl)-4-[(4-phenacyloxyphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(3-fluorophenyl)-4-[(4-phenacyloxyphenyl)methylidene]-1,3-oxazol-5-one (CID 19666103) is (4Z)-2-(3-fluorophenyl)-4-[(4-phenacyloxyphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(3-fluorophenyl)-4-[(4-phenacyloxyphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(3-fluorophenyl)-4-[(4-phenacyloxyphenyl)methylidene]-1,3-oxazol-5-one is O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(OCC(=O)c2ccccc2)cc1.
What is the InChIKey of (4Z)-2-(3-fluorophenyl)-4-[(4-phenacyloxyphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is JMBSEMUSEHDHPB-BKUYFWCQSA-N. The full InChI is InChI=1S/C24H16FNO4/c25-19-8-4-7-18(14-19)23-26-21(24(28)30-23)13-16-9-11-20(12-10-16)29-15-22(27)17-5-2-1-3-6-17/h1-14H,15H2/b21-13-.
What are the key properties of (4Z)-2-(3-fluorophenyl)-4-[(4-phenacyloxyphenyl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-(3-fluorophenyl)-4-[(4-phenacyloxyphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 401.39 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(3-fluorophenyl)-4-[(4-phenacyloxyphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 19666103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).