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

C20H16FNO3 — CID 781961

IUPAC(4Z)-2-(4-fluorophenyl)-4-[[2-(2-methylprop-2-enoxy)phenyl]methylidene]-1,3-oxazol-5-one
SMILESC=C(C)COc1ccccc1/C=C1\N=C(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C20H16FNO3/c1-13(2)12-24-18-6-4-3-5-15(18)11-17-20(23)25-19(22-17)14-7-9-16(21)10-8-14/h3-11H,1,12H2,2H3/b17-11-
InChIKeyGSEPWCODCBAGLV-BOPFTXTBSA-N
MW337.35 g/mol
LogP4.13
Rot. Bonds5

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

(4Z)-2-(4-fluorophenyl)-4-[[2-(2-methylprop-2-enoxy)phenyl]methylidene]-1,3-oxazol-5-one (PubChem CID 781961) has the molecular formula C20H16FNO3 and a molecular weight of 337.35 g/mol. Its IUPAC name is (4Z)-2-(4-fluorophenyl)-4-[[2-(2-methylprop-2-enoxy)phenyl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(4-fluorophenyl)-4-[[2-(2-methylprop-2-enoxy)phenyl]methylidene]-1,3-oxazol-5-one
PubChem CID781961
Molecular FormulaC20H16FNO3
Molecular Weight337.35 g/mol
Exact Mass337.11
IUPAC Name(4Z)-2-(4-fluorophenyl)-4-[[2-(2-methylprop-2-enoxy)phenyl]methylidene]-1,3-oxazol-5-one
SMILESC=C(C)COc1ccccc1/C=C1\N=C(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C20H16FNO3/c1-13(2)12-24-18-6-4-3-5-15(18)11-17-20(23)25-19(22-17)14-7-9-16(21)10-8-14/h3-11H,1,12H2,2H3/b17-11-
InChIKeyGSEPWCODCBAGLV-BOPFTXTBSA-N
XLogP4.13
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.13
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

(4E)-4-[(2-butoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 2199088
(4E)-4-[(2-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 6269498
ethyl 2-[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetate
CID 7033212
4-[[3-bromo-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 2875501
(4Z)-4-[[3-bromo-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 1110111
(4E)-4-[[3-bromo-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 1110110
(4Z)-2-(4-fluorophenyl)-4-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19669822
(4Z)-2-(4-phenylphenyl)-4-[(2-propoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19665303
N-[4-[(4Z)-5-oxo-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-2-yl]phenyl]acetamide
CID 19666234
2-phenyl-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4232998
4-[(2-butoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 4203564
(4Z)-2-(4-fluorophenyl)-4-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19669970

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(4-fluorophenyl)-4-[[2-(2-methylprop-2-enoxy)phenyl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(4-fluorophenyl)-4-[[2-(2-methylprop-2-enoxy)phenyl]methylidene]-1,3-oxazol-5-one (CID 781961) is (4Z)-2-(4-fluorophenyl)-4-[[2-(2-methylprop-2-enoxy)phenyl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(4-fluorophenyl)-4-[[2-(2-methylprop-2-enoxy)phenyl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(4-fluorophenyl)-4-[[2-(2-methylprop-2-enoxy)phenyl]methylidene]-1,3-oxazol-5-one is C=C(C)COc1ccccc1/C=C1\N=C(c2ccc(F)cc2)OC1=O.
What is the InChIKey of (4Z)-2-(4-fluorophenyl)-4-[[2-(2-methylprop-2-enoxy)phenyl]methylidene]-1,3-oxazol-5-one?
The InChIKey is GSEPWCODCBAGLV-BOPFTXTBSA-N. The full InChI is InChI=1S/C20H16FNO3/c1-13(2)12-24-18-6-4-3-5-15(18)11-17-20(23)25-19(22-17)14-7-9-16(21)10-8-14/h3-11H,1,12H2,2H3/b17-11-.
What are the key properties of (4Z)-2-(4-fluorophenyl)-4-[[2-(2-methylprop-2-enoxy)phenyl]methylidene]-1,3-oxazol-5-one?
(4Z)-2-(4-fluorophenyl)-4-[[2-(2-methylprop-2-enoxy)phenyl]methylidene]-1,3-oxazol-5-one has a molecular weight of 337.35 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(4-fluorophenyl)-4-[[2-(2-methylprop-2-enoxy)phenyl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 781961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).