4-hydroxy-5-[4-[3-methoxy-4-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-oxazol-2-one

C46H39N3O7 — CID 56997892

IUPAC4-hydroxy-5-[4-[3-methoxy-4-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-oxazol-2-one
SMILESCOc1cc(CCCCc2oc(=O)n(Cc3coc(C=Cc4ccc5ccccc5c4)n3)c2O)ccc1OCc1coc(C=Cc2ccc3ccccc3c2)n1
InChIInChI=1S/C46H39N3O7/c1-52-42-26-31(16-21-40(42)53-29-39-30-55-44(48-39)23-18-33-15-20-35-10-4-6-12-37(35)25-33)8-2-7-13-41-45(50)49(46(51)56-41)27-38-28-54-43(47-38)22-17-32-14-19-34-9-3-5-11-36(34)24-32/h3-6,9-12,14-26,28,30,50H,2,7-8,13,27,29H2,1H3
InChIKeyXXMXHMZTAXADKM-UHFFFAOYSA-N
MW745.83 g/mol
LogP9.97
Rot. Bonds15

About 4-hydroxy-5-[4-[3-methoxy-4-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-oxazol-2-one

4-hydroxy-5-[4-[3-methoxy-4-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-oxazol-2-one (PubChem CID 56997892) has the molecular formula C46H39N3O7 and a molecular weight of 745.83 g/mol. Its IUPAC name is 4-hydroxy-5-[4-[3-methoxy-4-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[4-[3-methoxy-4-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-oxazol-2-one
PubChem CID56997892
Molecular FormulaC46H39N3O7
Molecular Weight745.83 g/mol
Exact Mass745.28
IUPAC Name4-hydroxy-5-[4-[3-methoxy-4-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-oxazol-2-one
SMILESCOc1cc(CCCCc2oc(=O)n(Cc3coc(C=Cc4ccc5ccccc5c4)n3)c2O)ccc1OCc1coc(C=Cc2ccc3ccccc3c2)n1
InChIInChI=1S/C46H39N3O7/c1-52-42-26-31(16-21-40(42)53-29-39-30-55-44(48-39)23-18-33-15-20-35-10-4-6-12-37(35)25-33)8-2-7-13-41-45(50)49(46(51)56-41)27-38-28-54-43(47-38)22-17-32-14-19-34-9-3-5-11-36(34)24-32/h3-6,9-12,14-26,28,30,50H,2,7-8,13,27,29H2,1H3
InChIKeyXXMXHMZTAXADKM-UHFFFAOYSA-N
XLogP9.97
TPSA125.89 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.83
LogP ≤ 59.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-hydroxy-5-[4-[3-methoxy-4-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-oxazol-2-one with MolForge

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Related Compounds

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
5-[2-[4-methoxy-3-[[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 139722449
4-[3-[3,5-dimethoxy-4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-1,3-oxazolidine-2,5-dione
CID 173217934
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-[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
4-[[6-(3-imidazol-1-ylpropyl)naphthalen-2-yl]oxymethyl]-2-[(E)-2-phenylethenyl]-1,3-oxazole
CID 139970266
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-[[4-(4-pyridin-2-ylbutyl)phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
CID 139970287
2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]phenol
CID 11231216

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[4-[3-methoxy-4-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-oxazol-2-one?
The IUPAC name of 4-hydroxy-5-[4-[3-methoxy-4-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-oxazol-2-one (CID 56997892) is 4-hydroxy-5-[4-[3-methoxy-4-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-oxazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[4-[3-methoxy-4-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-oxazol-2-one?
The canonical SMILES for 4-hydroxy-5-[4-[3-methoxy-4-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-oxazol-2-one is COc1cc(CCCCc2oc(=O)n(Cc3coc(C=Cc4ccc5ccccc5c4)n3)c2O)ccc1OCc1coc(C=Cc2ccc3ccccc3c2)n1.
What is the InChIKey of 4-hydroxy-5-[4-[3-methoxy-4-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-oxazol-2-one?
The InChIKey is XXMXHMZTAXADKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H39N3O7/c1-52-42-26-31(16-21-40(42)53-29-39-30-55-44(48-39)23-18-33-15-20-35-10-4-6-12-37(35)25-33)8-2-7-13-41-45(50)49(46(51)56-41)27-38-28-54-43(47-38)22-17-32-14-19-34-9-3-5-11-36(34)24-32/h3-6,9-12,14-26,28,30,50H,2,7-8,13,27,29H2,1H3.
What are the key properties of 4-hydroxy-5-[4-[3-methoxy-4-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-oxazol-2-one?
4-hydroxy-5-[4-[3-methoxy-4-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-oxazol-2-one has a molecular weight of 745.83 g/mol, XLogP of 9.97, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[4-[3-methoxy-4-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-(2-naphthalen-2-ylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-oxazol-2-one is sourced from PubChem (CID 56997892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).