2-[(2E,4Z)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]-1,2,4-oxadiazolidine-3,5-dione

C25H23N3O5 — CID 10527307

IUPAC2-[(2E,4Z)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESC/C(=C/C=C/Cn1oc(=O)[nH]c1=O)c1cccc(OCc2nc(-c3ccccc3)oc2C)c1
InChIInChI=1S/C25H23N3O5/c1-17(9-6-7-14-28-24(29)27-25(30)33-28)20-12-8-13-21(15-20)31-16-22-18(2)32-23(26-22)19-10-4-3-5-11-19/h3-13,15H,14,16H2,1-2H3,(H,27,29,30)/b7-6+,17-9-
InChIKeyDOHJSHKZLQHBRN-ZBJXGCGXSA-N
MW445.48 g/mol
LogP4.33
Rot. Bonds8

About 2-[(2E,4Z)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]-1,2,4-oxadiazolidine-3,5-dione

2-[(2E,4Z)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 10527307) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is 2-[(2E,4Z)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-[(2E,4Z)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]-1,2,4-oxadiazolidine-3,5-dione
PubChem CID10527307
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Name2-[(2E,4Z)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESC/C(=C/C=C/Cn1oc(=O)[nH]c1=O)c1cccc(OCc2nc(-c3ccccc3)oc2C)c1
InChIInChI=1S/C25H23N3O5/c1-17(9-6-7-14-28-24(29)27-25(30)33-28)20-12-8-13-21(15-20)31-16-22-18(2)32-23(26-22)19-10-4-3-5-11-19/h3-13,15H,14,16H2,1-2H3,(H,27,29,30)/b7-6+,17-9-
InChIKeyDOHJSHKZLQHBRN-ZBJXGCGXSA-N
XLogP4.33
TPSA103.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(2E,4Z)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]-1,2,4-oxadiazolidine-3,5-dione with MolForge

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Related Compounds

N-[(2E,4E)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]hydroxylamine
CID 10667246
N-[(Z)-3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]but-2-enyl]hydroxylamine
CID 10569860
5-[3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione
CID 67620458
tert-butyl [[(E)-3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate
CID 10530692
[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 11140977
5-[(Z)-3-[3-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione
CID 67620028
1-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethanone
CID 10595616
4-[3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,5-dione
CID 173242283
4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid
CID 53213294
ethyl (E)-3-[3-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enoate
CID 10837705
1-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propan-1-one
CID 10572402
2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68883980

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]-1,2,4-oxadiazolidine-3,5-dione?
The IUPAC name of 2-[(2E,4Z)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]-1,2,4-oxadiazolidine-3,5-dione (CID 10527307) is 2-[(2E,4Z)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]-1,2,4-oxadiazolidine-3,5-dione.
What is the SMILES notation for 2-[(2E,4Z)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]-1,2,4-oxadiazolidine-3,5-dione?
The canonical SMILES for 2-[(2E,4Z)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]-1,2,4-oxadiazolidine-3,5-dione is C/C(=C/C=C/Cn1oc(=O)[nH]c1=O)c1cccc(OCc2nc(-c3ccccc3)oc2C)c1.
What is the InChIKey of 2-[(2E,4Z)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is DOHJSHKZLQHBRN-ZBJXGCGXSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-17(9-6-7-14-28-24(29)27-25(30)33-28)20-12-8-13-21(15-20)31-16-22-18(2)32-23(26-22)19-10-4-3-5-11-19/h3-13,15H,14,16H2,1-2H3,(H,27,29,30)/b7-6+,17-9-.
What are the key properties of 2-[(2E,4Z)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]-1,2,4-oxadiazolidine-3,5-dione?
2-[(2E,4Z)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 445.48 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 10527307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).