3-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-1,3-oxazolidine-2,4-dione

C22H19Cl2FN2O5 — CID 58393683

IUPAC3-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1c1ccc(F)c(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2N2CC[C@@H](O)C2)c1
InChIInChI=1S/C22H19Cl2FN2O5/c23-11-5-15-14(16(24)6-11)8-18(26-4-3-13(28)9-26)21(15)32-19-7-12(1-2-17(19)25)27-20(29)10-31-22(27)30/h1-2,5-7,13,18,21,28H,3-4,8-10H2/t13-,18+,21+/m1/s1
InChIKeyXSTYBVRUPKYGGM-MPKWNAGQSA-N
MW481.31 g/mol
LogP3.73
Rot. Bonds4

About 3-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-1,3-oxazolidine-2,4-dione

3-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-1,3-oxazolidine-2,4-dione (PubChem CID 58393683) has the molecular formula C22H19Cl2FN2O5 and a molecular weight of 481.31 g/mol. Its IUPAC name is 3-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-1,3-oxazolidine-2,4-dione
PubChem CID58393683
Molecular FormulaC22H19Cl2FN2O5
Molecular Weight481.31 g/mol
Exact Mass480.07
IUPAC Name3-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1c1ccc(F)c(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2N2CC[C@@H](O)C2)c1
InChIInChI=1S/C22H19Cl2FN2O5/c23-11-5-15-14(16(24)6-11)8-18(26-4-3-13(28)9-26)21(15)32-19-7-12(1-2-17(19)25)27-20(29)10-31-22(27)30/h1-2,5-7,13,18,21,28H,3-4,8-10H2/t13-,18+,21+/m1/s1
InChIKeyXSTYBVRUPKYGGM-MPKWNAGQSA-N
XLogP3.73
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-1,3-oxazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-1,3-oxazolidine-2,4-dione (CID 58393683) is 3-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-1,3-oxazolidine-2,4-dione is O=C1COC(=O)N1c1ccc(F)c(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2N2CC[C@@H](O)C2)c1.
What is the InChIKey of 3-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is XSTYBVRUPKYGGM-MPKWNAGQSA-N. The full InChI is InChI=1S/C22H19Cl2FN2O5/c23-11-5-15-14(16(24)6-11)8-18(26-4-3-13(28)9-26)21(15)32-19-7-12(1-2-17(19)25)27-20(29)10-31-22(27)30/h1-2,5-7,13,18,21,28H,3-4,8-10H2/t13-,18+,21+/m1/s1.
What are the key properties of 3-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-1,3-oxazolidine-2,4-dione?
3-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 481.31 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 58393683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).