(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one

C25H29FN2O5Si — CID 23928555

IUPAC(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one
SMILESC[C@@H]1[C@@H]([Si](C)(C)F)[C@H](CCO)O[C@@]12C(=O)N(c1ccccc1)c1ccc(N3CCOC3=O)cc12
InChIInChI=1S/C25H29FN2O5Si/c1-16-22(34(2,3)26)21(11-13-29)33-25(16)19-15-18(27-12-14-32-24(27)31)9-10-20(19)28(23(25)30)17-7-5-4-6-8-17/h4-10,15-16,21-22,29H,11-14H2,1-3H3/t16-,21+,22-,25+/m1/s1
InChIKeyFKRXEHGCESSBRV-MZBWQFGNSA-N
MW484.60 g/mol
LogP4.48
Rot. Bonds5

About (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one

(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one (PubChem CID 23928555) has the molecular formula C25H29FN2O5Si and a molecular weight of 484.60 g/mol. Its IUPAC name is (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one.

Molecular Properties

Compound Name(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one
PubChem CID23928555
Molecular FormulaC25H29FN2O5Si
Molecular Weight484.60 g/mol
Exact Mass484.18
IUPAC Name(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one
SMILESC[C@@H]1[C@@H]([Si](C)(C)F)[C@H](CCO)O[C@@]12C(=O)N(c1ccccc1)c1ccc(N3CCOC3=O)cc12
InChIInChI=1S/C25H29FN2O5Si/c1-16-22(34(2,3)26)21(11-13-29)33-25(16)19-15-18(27-12-14-32-24(27)31)9-10-20(19)28(23(25)30)17-7-5-4-6-8-17/h4-10,15-16,21-22,29H,11-14H2,1-3H3/t16-,21+,22-,25+/m1/s1
InChIKeyFKRXEHGCESSBRV-MZBWQFGNSA-N
XLogP4.48
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one
CID 23815883
(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one
CID 23787055
(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-1,3'-dimethyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one
CID 23900596
(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one
CID 23786606
(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one
CID 23757557
(3S,3'S,4'R,5'S)-5-bromo-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one
CID 23759188
(3R,3'R,4'S,5'R)-5-chloro-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-1-phenylspiro[indole-3,2'-oxolane]-2-one
CID 23786650
N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]-2-(1H-indol-3-yl)acetamide
CID 23815549
(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one
CID 23757624
(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-prop-2-enylspiro[indole-3,2'-oxolane]-2-one
CID 24869025
(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxopyrrolidin-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one
CID 23816210
(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-5-(3-oxo-1,4-benzoxazin-4-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one
CID 23956006

Frequently Asked Questions

What is the IUPAC name of (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one?
The IUPAC name of (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one (CID 23928555) is (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one.
What is the SMILES notation for (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one?
The canonical SMILES for (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one is C[C@@H]1[C@@H]([Si](C)(C)F)[C@H](CCO)O[C@@]12C(=O)N(c1ccccc1)c1ccc(N3CCOC3=O)cc12.
What is the InChIKey of (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one?
The InChIKey is FKRXEHGCESSBRV-MZBWQFGNSA-N. The full InChI is InChI=1S/C25H29FN2O5Si/c1-16-22(34(2,3)26)21(11-13-29)33-25(16)19-15-18(27-12-14-32-24(27)31)9-10-20(19)28(23(25)30)17-7-5-4-6-8-17/h4-10,15-16,21-22,29H,11-14H2,1-3H3/t16-,21+,22-,25+/m1/s1.
What are the key properties of (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one?
(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one has a molecular weight of 484.60 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23928555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).