4-[3-[3,5-dimethoxy-4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-1,3-oxazolidine-2,5-dione

C26H26N2O7 — CID 173217934

IUPAC4-[3-[3,5-dimethoxy-4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-1,3-oxazolidine-2,5-dione
SMILESCOc1cc(CCCC2NC(=O)OC2=O)cc(OC)c1OCc1coc(C=Cc2ccccc2)n1
InChIInChI=1S/C26H26N2O7/c1-31-21-13-18(9-6-10-20-25(29)35-26(30)28-20)14-22(32-2)24(21)34-16-19-15-33-23(27-19)12-11-17-7-4-3-5-8-17/h3-5,7-8,11-15,20H,6,9-10,16H2,1-2H3,(H,28,30)
InChIKeyQPMUPYRPSPRMKZ-UHFFFAOYSA-N
MW478.50 g/mol
LogP4.40
Rot. Bonds11

About 4-[3-[3,5-dimethoxy-4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-1,3-oxazolidine-2,5-dione

4-[3-[3,5-dimethoxy-4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-1,3-oxazolidine-2,5-dione (PubChem CID 173217934) has the molecular formula C26H26N2O7 and a molecular weight of 478.50 g/mol. Its IUPAC name is 4-[3-[3,5-dimethoxy-4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name4-[3-[3,5-dimethoxy-4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-1,3-oxazolidine-2,5-dione
PubChem CID173217934
Molecular FormulaC26H26N2O7
Molecular Weight478.50 g/mol
Exact Mass478.17
IUPAC Name4-[3-[3,5-dimethoxy-4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-1,3-oxazolidine-2,5-dione
SMILESCOc1cc(CCCC2NC(=O)OC2=O)cc(OC)c1OCc1coc(C=Cc2ccccc2)n1
InChIInChI=1S/C26H26N2O7/c1-31-21-13-18(9-6-10-20-25(29)35-26(30)28-20)14-22(32-2)24(21)34-16-19-15-33-23(27-19)12-11-17-7-4-3-5-8-17/h3-5,7-8,11-15,20H,6,9-10,16H2,1-2H3,(H,28,30)
InChIKeyQPMUPYRPSPRMKZ-UHFFFAOYSA-N
XLogP4.40
TPSA109.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3,5-dimethoxy-4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-1,3-oxazolidine-2,5-dione?
The IUPAC name of 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) is 4-[3-[3,5-dimethoxy-4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for 4-[3-[3,5-dimethoxy-4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-1,3-oxazolidine-2,5-dione?
The canonical SMILES for 4-[3-[3,5-dimethoxy-4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-1,3-oxazolidine-2,5-dione is COc1cc(CCCC2NC(=O)OC2=O)cc(OC)c1OCc1coc(C=Cc2ccccc2)n1.
What is the InChIKey of 4-[3-[3,5-dimethoxy-4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-1,3-oxazolidine-2,5-dione?
The InChIKey is QPMUPYRPSPRMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O7/c1-31-21-13-18(9-6-10-20-25(29)35-26(30)28-20)14-22(32-2)24(21)34-16-19-15-33-23(27-19)12-11-17-7-4-3-5-8-17/h3-5,7-8,11-15,20H,6,9-10,16H2,1-2H3,(H,28,30).
What are the key properties of 4-[3-[3,5-dimethoxy-4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-1,3-oxazolidine-2,5-dione?
4-[3-[3,5-dimethoxy-4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-1,3-oxazolidine-2,5-dione has a molecular weight of 478.50 g/mol, XLogP of 4.40, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3,5-dimethoxy-4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 173217934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).