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

C27H25FN2O4 — CID 12002163

IUPAC3-ethyl-4-[[4-[2-fluoro-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCCN1C(=O)OCC1Cc1ccc(Oc2ccc(CC3C(=O)Nc4ccccc43)cc2F)cc1
InChIInChI=1S/C27H25FN2O4/c1-2-30-19(16-33-27(30)32)13-17-7-10-20(11-8-17)34-25-12-9-18(15-23(25)28)14-22-21-5-3-4-6-24(21)29-26(22)31/h3-12,15,19,22H,2,13-14,16H2,1H3,(H,29,31)
InChIKeyJLPFSWKVRBGKJT-UHFFFAOYSA-N
MW460.51 g/mol
LogP5.28
Rot. Bonds7

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

3-ethyl-4-[[4-[2-fluoro-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 12002163) has the molecular formula C27H25FN2O4 and a molecular weight of 460.51 g/mol. Its IUPAC name is 3-ethyl-4-[[4-[2-fluoro-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-fluoro-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID12002163
Molecular FormulaC27H25FN2O4
Molecular Weight460.51 g/mol
Exact Mass460.18
IUPAC Name3-ethyl-4-[[4-[2-fluoro-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCCN1C(=O)OCC1Cc1ccc(Oc2ccc(CC3C(=O)Nc4ccccc43)cc2F)cc1
InChIInChI=1S/C27H25FN2O4/c1-2-30-19(16-33-27(30)32)13-17-7-10-20(11-8-17)34-25-12-9-18(15-23(25)28)14-22-21-5-3-4-6-24(21)29-26(22)31/h3-12,15,19,22H,2,13-14,16H2,1H3,(H,29,31)
InChIKeyJLPFSWKVRBGKJT-UHFFFAOYSA-N
XLogP5.28
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.51
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[[4-[2-fluoro-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-fluoro-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one (CID 12002163) is 3-ethyl-4-[[4-[2-fluoro-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-fluoro-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-fluoro-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)cc2F)cc1.
What is the InChIKey of 3-ethyl-4-[[4-[2-fluoro-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is JLPFSWKVRBGKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O4/c1-2-30-19(16-33-27(30)32)13-17-7-10-20(11-8-17)34-25-12-9-18(15-23(25)28)14-22-21-5-3-4-6-24(21)29-26(22)31/h3-12,15,19,22H,2,13-14,16H2,1H3,(H,29,31).
What are the key properties of 3-ethyl-4-[[4-[2-fluoro-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one?
3-ethyl-4-[[4-[2-fluoro-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 460.51 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[[4-[2-fluoro-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 12002163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).