3-ethyl-4-[[4-[2-methoxy-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one

C28H28N2O5 — CID 12002166

IUPAC3-ethyl-4-[[4-[2-methoxy-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCCN1C(=O)OCC1Cc1ccc(Oc2ccc(CC3C(=O)Nc4ccccc43)cc2OC)cc1
InChIInChI=1S/C28H28N2O5/c1-3-30-20(17-34-28(30)32)14-18-8-11-21(12-9-18)35-25-13-10-19(16-26(25)33-2)15-23-22-6-4-5-7-24(22)29-27(23)31/h4-13,16,20,23H,3,14-15,17H2,1-2H3,(H,29,31)
InChIKeyXGXRPZRFPIPJOV-UHFFFAOYSA-N
MW472.54 g/mol
LogP5.15
Rot. Bonds8

About 3-ethyl-4-[[4-[2-methoxy-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one

3-ethyl-4-[[4-[2-methoxy-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 12002166) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is 3-ethyl-4-[[4-[2-methoxy-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[[4-[2-methoxy-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID12002166
Molecular FormulaC28H28N2O5
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC Name3-ethyl-4-[[4-[2-methoxy-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCCN1C(=O)OCC1Cc1ccc(Oc2ccc(CC3C(=O)Nc4ccccc43)cc2OC)cc1
InChIInChI=1S/C28H28N2O5/c1-3-30-20(17-34-28(30)32)14-18-8-11-21(12-9-18)35-25-13-10-19(16-26(25)33-2)15-23-22-6-4-5-7-24(22)29-27(23)31/h4-13,16,20,23H,3,14-15,17H2,1-2H3,(H,29,31)
InChIKeyXGXRPZRFPIPJOV-UHFFFAOYSA-N
XLogP5.15
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[[4-[2-methoxy-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-ethyl-4-[[4-[2-methoxy-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one (CID 12002166) is 3-ethyl-4-[[4-[2-methoxy-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-ethyl-4-[[4-[2-methoxy-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-ethyl-4-[[4-[2-methoxy-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one is CCN1C(=O)OCC1Cc1ccc(Oc2ccc(CC3C(=O)Nc4ccccc43)cc2OC)cc1.
What is the InChIKey of 3-ethyl-4-[[4-[2-methoxy-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is XGXRPZRFPIPJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5/c1-3-30-20(17-34-28(30)32)14-18-8-11-21(12-9-18)35-25-13-10-19(16-26(25)33-2)15-23-22-6-4-5-7-24(22)29-27(23)31/h4-13,16,20,23H,3,14-15,17H2,1-2H3,(H,29,31).
What are the key properties of 3-ethyl-4-[[4-[2-methoxy-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one?
3-ethyl-4-[[4-[2-methoxy-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 472.54 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[[4-[2-methoxy-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 12002166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).