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

C23H30FN5O5Si — CID 23900253

IUPAC(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[1H-indole-3,2'-oxolane]-2-one
SMILESC[C@H]1[C@H]([Si](C)(C)F)[C@@H](CCn2cc(CCO)nn2)O[C@]12C(=O)Nc1ccc(N3CCOC3=O)cc12
InChIInChI=1S/C23H30FN5O5Si/c1-14-20(35(2,3)24)19(6-8-28-13-15(7-10-30)26-27-28)34-23(14)17-12-16(29-9-11-33-22(29)32)4-5-18(17)25-21(23)31/h4-5,12-14,19-20,30H,6-11H2,1-3H3,(H,25,31)/t14-,19+,20-,23+/m0/s1
InChIKeyUSTYJLJGQSJLLC-XAICUERPSA-N
MW503.61 g/mol
LogP2.59
Rot. Bonds7

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

(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[1H-indole-3,2'-oxolane]-2-one (PubChem CID 23900253) has the molecular formula C23H30FN5O5Si and a molecular weight of 503.61 g/mol. Its IUPAC name is (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[1H-indole-3,2'-oxolane]-2-one.

Molecular Properties

Compound Name(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[1H-indole-3,2'-oxolane]-2-one
PubChem CID23900253
Molecular FormulaC23H30FN5O5Si
Molecular Weight503.61 g/mol
Exact Mass503.20
IUPAC Name(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[1H-indole-3,2'-oxolane]-2-one
SMILESC[C@H]1[C@H]([Si](C)(C)F)[C@@H](CCn2cc(CCO)nn2)O[C@]12C(=O)Nc1ccc(N3CCOC3=O)cc12
InChIInChI=1S/C23H30FN5O5Si/c1-14-20(35(2,3)24)19(6-8-28-13-15(7-10-30)26-27-28)34-23(14)17-12-16(29-9-11-33-22(29)32)4-5-18(17)25-21(23)31/h4-5,12-14,19-20,30H,6-11H2,1-3H3,(H,25,31)/t14-,19+,20-,23+/m0/s1
InChIKeyUSTYJLJGQSJLLC-XAICUERPSA-N
XLogP2.59
TPSA118.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.61
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[1H-indole-3,2'-oxolane]-2-one?
The IUPAC name of (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[1H-indole-3,2'-oxolane]-2-one (CID 23900253) is (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[1H-indole-3,2'-oxolane]-2-one.
What is the SMILES notation for (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[1H-indole-3,2'-oxolane]-2-one?
The canonical SMILES for (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[1H-indole-3,2'-oxolane]-2-one is C[C@H]1[C@H]([Si](C)(C)F)[C@@H](CCn2cc(CCO)nn2)O[C@]12C(=O)Nc1ccc(N3CCOC3=O)cc12.
What is the InChIKey of (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[1H-indole-3,2'-oxolane]-2-one?
The InChIKey is USTYJLJGQSJLLC-XAICUERPSA-N. The full InChI is InChI=1S/C23H30FN5O5Si/c1-14-20(35(2,3)24)19(6-8-28-13-15(7-10-30)26-27-28)34-23(14)17-12-16(29-9-11-33-22(29)32)4-5-18(17)25-21(23)31/h4-5,12-14,19-20,30H,6-11H2,1-3H3,(H,25,31)/t14-,19+,20-,23+/m0/s1.
What are the key properties of (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[1H-indole-3,2'-oxolane]-2-one?
(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[1H-indole-3,2'-oxolane]-2-one has a molecular weight of 503.61 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[1H-indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23900253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).