3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-5-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,4-dione

C29H24N2O5 — CID 67717807

IUPAC3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-5-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C1OC(Cc2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1coc(C=Cc2ccccc2)n1
InChIInChI=1S/C29H24N2O5/c32-28-26(17-22-11-14-25(15-12-22)34-19-23-9-5-2-6-10-23)36-29(33)31(28)18-24-20-35-27(30-24)16-13-21-7-3-1-4-8-21/h1-16,20,26H,17-19H2
InChIKeyQCZBXQJMYSNMLZ-UHFFFAOYSA-N
MW480.52 g/mol
LogP5.51
Rot. Bonds9

About 3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-5-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,4-dione

3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-5-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 67717807) has the molecular formula C29H24N2O5 and a molecular weight of 480.52 g/mol. Its IUPAC name is 3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-5-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-5-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,4-dione
PubChem CID67717807
Molecular FormulaC29H24N2O5
Molecular Weight480.52 g/mol
Exact Mass480.17
IUPAC Name3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-5-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C1OC(Cc2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1coc(C=Cc2ccccc2)n1
InChIInChI=1S/C29H24N2O5/c32-28-26(17-22-11-14-25(15-12-22)34-19-23-9-5-2-6-10-23)36-29(33)31(28)18-24-20-35-27(30-24)16-13-21-7-3-1-4-8-21/h1-16,20,26H,17-19H2
InChIKeyQCZBXQJMYSNMLZ-UHFFFAOYSA-N
XLogP5.51
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-5-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,4-dione with MolForge

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Related Compounds

5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 67718322
5-[4-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 139722450
5-[6-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hexyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 139722477
5-[7-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]heptyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 139722476
5-[3-[3,5-dimethoxy-4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 67719926
1-methyl-5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione
CID 67717753
2-[(E)-2-phenylethenyl]-4-[(4-propylphenoxy)methyl]-1,3-oxazole
CID 173184404
2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanol
CID 54126374
4-hydroxy-5-[2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-thiazol-2-one
CID 54092892
5-[2-[3-ethoxy-4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione
CID 139722463
3-(2-aminoethyl)-5-benzyl-1,3-oxazolidine-2,4-dione
CID 45156479
4-[[6-(3-imidazol-1-ylpropyl)naphthalen-2-yl]oxymethyl]-2-[(E)-2-phenylethenyl]-1,3-oxazole
CID 139970266

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-5-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-5-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,4-dione (CID 67717807) is 3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-5-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-5-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-5-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,4-dione is O=C1OC(Cc2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1coc(C=Cc2ccccc2)n1.
What is the InChIKey of 3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-5-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is QCZBXQJMYSNMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O5/c32-28-26(17-22-11-14-25(15-12-22)34-19-23-9-5-2-6-10-23)36-29(33)31(28)18-24-20-35-27(30-24)16-13-21-7-3-1-4-8-21/h1-16,20,26H,17-19H2.
What are the key properties of 3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-5-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,4-dione?
3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-5-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 480.52 g/mol, XLogP of 5.51, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-5-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 67717807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).