(4S)-3-[3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C25H27ClF2N2O4 — CID 58393509

IUPAC(4S)-3-[3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccc(F)c(O[C@H]2c3cc(Cl)cc(F)c3C[C@@H]2N2CC[C@@H](O)C2)c1
InChIInChI=1S/C25H27ClF2N2O4/c1-13(2)22-12-33-25(32)30(22)15-3-4-19(27)23(9-15)34-24-18-7-14(26)8-20(28)17(18)10-21(24)29-6-5-16(31)11-29/h3-4,7-9,13,16,21-22,24,31H,5-6,10-12H2,1-2H3/t16-,21+,22-,24+/m1/s1
InChIKeyGZNZIZRGSKWLFC-HJCAUHOKSA-N
MW492.95 g/mol
LogP4.71
Rot. Bonds5

About (4S)-3-[3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 58393509) has the molecular formula C25H27ClF2N2O4 and a molecular weight of 492.95 g/mol. Its IUPAC name is (4S)-3-[3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID58393509
Molecular FormulaC25H27ClF2N2O4
Molecular Weight492.95 g/mol
Exact Mass492.16
IUPAC Name(4S)-3-[3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccc(F)c(O[C@H]2c3cc(Cl)cc(F)c3C[C@@H]2N2CC[C@@H](O)C2)c1
InChIInChI=1S/C25H27ClF2N2O4/c1-13(2)22-12-33-25(32)30(22)15-3-4-19(27)23(9-15)34-24-18-7-14(26)8-20(28)17(18)10-21(24)29-6-5-16(31)11-29/h3-4,7-9,13,16,21-22,24,31H,5-6,10-12H2,1-2H3/t16-,21+,22-,24+/m1/s1
InChIKeyGZNZIZRGSKWLFC-HJCAUHOKSA-N
XLogP4.71
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.95
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-3-[3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 58393509) is (4S)-3-[3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1c1ccc(F)c(O[C@H]2c3cc(Cl)cc(F)c3C[C@@H]2N2CC[C@@H](O)C2)c1.
What is the InChIKey of (4S)-3-[3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is GZNZIZRGSKWLFC-HJCAUHOKSA-N. The full InChI is InChI=1S/C25H27ClF2N2O4/c1-13(2)22-12-33-25(32)30(22)15-3-4-19(27)23(9-15)34-24-18-7-14(26)8-20(28)17(18)10-21(24)29-6-5-16(31)11-29/h3-4,7-9,13,16,21-22,24,31H,5-6,10-12H2,1-2H3/t16-,21+,22-,24+/m1/s1.
What are the key properties of (4S)-3-[3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 492.95 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58393509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).