(4Z)-2-(2-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1,3-oxazol-5-one

C24H16ClFINO4 — CID 19664116

IUPAC(4Z)-2-(2-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1,3-oxazol-5-one
SMILESCOc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc(I)c1OCc1ccccc1F
InChIInChI=1S/C24H16ClFINO4/c1-30-21-12-14(10-19(27)22(21)31-13-15-6-2-5-9-18(15)26)11-20-24(29)32-23(28-20)16-7-3-4-8-17(16)25/h2-12H,13H2,1H3/b20-11-
InChIKeyIFEBREFLNSRLFS-JAIQZWGSSA-N
MW563.75 g/mol
LogP6.02
Rot. Bonds6

About (4Z)-2-(2-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1,3-oxazol-5-one

(4Z)-2-(2-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1,3-oxazol-5-one (PubChem CID 19664116) has the molecular formula C24H16ClFINO4 and a molecular weight of 563.75 g/mol. Its IUPAC name is (4Z)-2-(2-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(2-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1,3-oxazol-5-one
PubChem CID19664116
Molecular FormulaC24H16ClFINO4
Molecular Weight563.75 g/mol
Exact Mass562.98
IUPAC Name(4Z)-2-(2-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1,3-oxazol-5-one
SMILESCOc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc(I)c1OCc1ccccc1F
InChIInChI=1S/C24H16ClFINO4/c1-30-21-12-14(10-19(27)22(21)31-13-15-6-2-5-9-18(15)26)11-20-24(29)32-23(28-20)16-7-3-4-8-17(16)25/h2-12H,13H2,1H3/b20-11-
InChIKeyIFEBREFLNSRLFS-JAIQZWGSSA-N
XLogP6.02
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.75
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-2-(2-chloro-4-nitrophenyl)-4-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1,3-oxazol-5-one
CID 19674177
(4Z)-2-(2-chlorophenyl)-4-[[4-[(4-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1,3-oxazol-5-one
CID 19664091
(4Z)-2-(2-chlorophenyl)-4-[[4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1,3-oxazol-5-one
CID 19664386
(4Z)-4-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-(2-chloro-5-iodophenyl)-1,3-oxazol-5-one
CID 19673689
(4Z)-4-[[4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-2-(2,4-dichlorophenyl)-1,3-oxazol-5-one
CID 19670226
(4Z)-2-(2-fluorophenyl)-4-[(3-iodo-5-methoxy-4-propoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19668819
ethyl 2-[4-[(Z)-[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-iodo-6-methoxyphenoxy]acetate
CID 19664324
(4Z)-4-[[3-bromo-4-[(2-iodophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
CID 19668985
(4Z)-2-(2-bromophenyl)-4-[[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19669262
(4Z)-4-[[4-[(2-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 19663705
(4Z)-4-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one
CID 19664124
(4Z)-4-[[4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 19668203

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(2-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(2-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1,3-oxazol-5-one (CID 19664116) is (4Z)-2-(2-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(2-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(2-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1,3-oxazol-5-one is COc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc(I)c1OCc1ccccc1F.
What is the InChIKey of (4Z)-2-(2-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1,3-oxazol-5-one?
The InChIKey is IFEBREFLNSRLFS-JAIQZWGSSA-N. The full InChI is InChI=1S/C24H16ClFINO4/c1-30-21-12-14(10-19(27)22(21)31-13-15-6-2-5-9-18(15)26)11-20-24(29)32-23(28-20)16-7-3-4-8-17(16)25/h2-12H,13H2,1H3/b20-11-.
What are the key properties of (4Z)-2-(2-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1,3-oxazol-5-one?
(4Z)-2-(2-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1,3-oxazol-5-one has a molecular weight of 563.75 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(2-chlorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 19664116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).