3-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1,3-oxazolidin-2-one

C24H35FN4O4Si — CID 23788538

IUPAC3-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@H]([Si](C)(C)F)[C@@H](CCn2cc(CCO)nn2)O[C@H]1CCc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C24H35FN4O4Si/c1-17-21(9-6-18-4-7-20(8-5-18)29-13-15-32-24(29)31)33-22(23(17)34(2,3)25)10-12-28-16-19(11-14-30)26-27-28/h4-5,7-8,16-17,21-23,30H,6,9-15H2,1-3H3/t17-,21+,22-,23+/m1/s1
InChIKeyKRLDRXLLFVLPEP-WIQPIVSASA-N
MW490.65 g/mol
LogP3.74
Rot. Bonds10

About 3-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1,3-oxazolidin-2-one

3-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 23788538) has the molecular formula C24H35FN4O4Si and a molecular weight of 490.65 g/mol. Its IUPAC name is 3-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID23788538
Molecular FormulaC24H35FN4O4Si
Molecular Weight490.65 g/mol
Exact Mass490.24
IUPAC Name3-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@H]([Si](C)(C)F)[C@@H](CCn2cc(CCO)nn2)O[C@H]1CCc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C24H35FN4O4Si/c1-17-21(9-6-18-4-7-20(8-5-18)29-13-15-32-24(29)31)33-22(23(17)34(2,3)25)10-12-28-16-19(11-14-30)26-27-28/h4-5,7-8,16-17,21-23,30H,6,9-15H2,1-3H3/t17-,21+,22-,23+/m1/s1
InChIKeyKRLDRXLLFVLPEP-WIQPIVSASA-N
XLogP3.74
TPSA89.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 3-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1,3-oxazolidin-2-one (CID 23788538) is 3-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1,3-oxazolidin-2-one is C[C@H]1[C@H]([Si](C)(C)F)[C@@H](CCn2cc(CCO)nn2)O[C@H]1CCc1ccc(N2CCOC2=O)cc1.
What is the InChIKey of 3-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is KRLDRXLLFVLPEP-WIQPIVSASA-N. The full InChI is InChI=1S/C24H35FN4O4Si/c1-17-21(9-6-18-4-7-20(8-5-18)29-13-15-32-24(29)31)33-22(23(17)34(2,3)25)10-12-28-16-19(11-14-30)26-27-28/h4-5,7-8,16-17,21-23,30H,6,9-15H2,1-3H3/t17-,21+,22-,23+/m1/s1.
What are the key properties of 3-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1,3-oxazolidin-2-one?
3-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 490.65 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 23788538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).