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

C38H35N3O8 — CID 67719926

IUPAC5-[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
SMILESCOc1cc(CCCC2OC(=O)N(Cc3coc(C=Cc4ccccc4)n3)C2=O)cc(OC)c1OCc1coc(C=Cc2ccccc2)n1
InChIInChI=1S/C38H35N3O8/c1-44-32-20-28(21-33(45-2)36(32)48-25-30-24-47-35(40-30)19-17-27-12-7-4-8-13-27)14-9-15-31-37(42)41(38(43)49-31)22-29-23-46-34(39-29)18-16-26-10-5-3-6-11-26/h3-8,10-13,16-21,23-24,31H,9,14-15,22,25H2,1-2H3
InChIKeyANPQEQWZSIRYHC-UHFFFAOYSA-N
MW661.71 g/mol
LogP7.47
Rot. Bonds15

About 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

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 (PubChem CID 67719926) has the molecular formula C38H35N3O8 and a molecular weight of 661.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID67719926
Molecular FormulaC38H35N3O8
Molecular Weight661.71 g/mol
Exact Mass661.24
IUPAC Name5-[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
SMILESCOc1cc(CCCC2OC(=O)N(Cc3coc(C=Cc4ccccc4)n3)C2=O)cc(OC)c1OCc1coc(C=Cc2ccccc2)n1
InChIInChI=1S/C38H35N3O8/c1-44-32-20-28(21-33(45-2)36(32)48-25-30-24-47-35(40-30)19-17-27-12-7-4-8-13-27)14-9-15-31-37(42)41(38(43)49-31)22-29-23-46-34(39-29)18-16-26-10-5-3-6-11-26/h3-8,10-13,16-21,23-24,31H,9,14-15,22,25H2,1-2H3
InChIKeyANPQEQWZSIRYHC-UHFFFAOYSA-N
XLogP7.47
TPSA126.36 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.71
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(CCCC2OC(=O)N(Cc3coc(C=Cc4ccccc4)n3)C2=O)cc(OC)c1OCc1coc(C=Cc2ccccc2)n1.
What is the InChIKey of 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?
The InChIKey is ANPQEQWZSIRYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35N3O8/c1-44-32-20-28(21-33(45-2)36(32)48-25-30-24-47-35(40-30)19-17-27-12-7-4-8-13-27)14-9-15-31-37(42)41(38(43)49-31)22-29-23-46-34(39-29)18-16-26-10-5-3-6-11-26/h3-8,10-13,16-21,23-24,31H,9,14-15,22,25H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 661.71 g/mol, XLogP of 7.47, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67719926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).