(4Z)-2-(2,4-dichlorophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one

C24H16Cl2INO4 — CID 19670258

IUPAC(4Z)-2-(2,4-dichlorophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one
SMILESCOc1cc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)ccc1OCc1ccccc1I
InChIInChI=1S/C24H16Cl2INO4/c1-30-22-11-14(6-9-21(22)31-13-15-4-2-3-5-19(15)27)10-20-24(29)32-23(28-20)17-8-7-16(25)12-18(17)26/h2-12H,13H2,1H3/b20-10-
InChIKeyXFFCNACVYPOEFC-JMIUGGIZSA-N
MW580.21 g/mol
LogP6.53
Rot. Bonds6

About (4Z)-2-(2,4-dichlorophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one

(4Z)-2-(2,4-dichlorophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one (PubChem CID 19670258) has the molecular formula C24H16Cl2INO4 and a molecular weight of 580.21 g/mol. Its IUPAC name is (4Z)-2-(2,4-dichlorophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(2,4-dichlorophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one
PubChem CID19670258
Molecular FormulaC24H16Cl2INO4
Molecular Weight580.21 g/mol
Exact Mass578.95
IUPAC Name(4Z)-2-(2,4-dichlorophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one
SMILESCOc1cc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)ccc1OCc1ccccc1I
InChIInChI=1S/C24H16Cl2INO4/c1-30-22-11-14(6-9-21(22)31-13-15-4-2-3-5-19(15)27)10-20-24(29)32-23(28-20)17-8-7-16(25)12-18(17)26/h2-12H,13H2,1H3/b20-10-
InChIKeyXFFCNACVYPOEFC-JMIUGGIZSA-N
XLogP6.53
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.21
LogP ≤ 56.53
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-5-iodophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one
CID 19673793
(4Z)-4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(2,4-dichlorophenyl)-1,3-oxazol-5-one
CID 19670161
(4Z)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 19668016
(4Z)-4-[[4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-2-(2,4-dichlorophenyl)-1,3-oxazol-5-one
CID 19670226
(4Z)-2-(2,4-dichlorophenyl)-4-[[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19670297
ethyl 2-[4-[(Z)-[2-(2,4-dichlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenoxy]acetate
CID 19670371
(4Z)-2-(2-chlorophenyl)-4-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one
CID 19664189
(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(3,4-dichlorophenyl)-1,3-oxazol-5-one
CID 19672774
[4-[(E)-[2-(2,4-dichlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] acetate
CID 1080171
2-(2-fluorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one
CID 2875008
(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665485
(4E)-4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 56698406

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(2,4-dichlorophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(2,4-dichlorophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one (CID 19670258) is (4Z)-2-(2,4-dichlorophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(2,4-dichlorophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(2,4-dichlorophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one is COc1cc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)ccc1OCc1ccccc1I.
What is the InChIKey of (4Z)-2-(2,4-dichlorophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one?
The InChIKey is XFFCNACVYPOEFC-JMIUGGIZSA-N. The full InChI is InChI=1S/C24H16Cl2INO4/c1-30-22-11-14(6-9-21(22)31-13-15-4-2-3-5-19(15)27)10-20-24(29)32-23(28-20)17-8-7-16(25)12-18(17)26/h2-12H,13H2,1H3/b20-10-.
What are the key properties of (4Z)-2-(2,4-dichlorophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one?
(4Z)-2-(2,4-dichlorophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one has a molecular weight of 580.21 g/mol, XLogP of 6.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(2,4-dichlorophenyl)-4-[[4-[(2-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 19670258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).