3-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one

C19H28FNO5Si — CID 23788490

IUPAC3-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one
SMILESCO[C@@H]1c2cc(N3CCOC3=O)ccc2O[C@H](C(CCO)[Si](C)(C)F)[C@H]1C
InChIInChI=1S/C19H28FNO5Si/c1-12-17(24-2)14-11-13(21-8-10-25-19(21)23)5-6-15(14)26-18(12)16(7-9-22)27(3,4)20/h5-6,11-12,16-18,22H,7-10H2,1-4H3/t12-,16?,17-,18-/m0/s1
InChIKeyGIVKHIQWGFOULY-DBFMJEBKSA-N
MW397.52 g/mol
LogP3.65
Rot. Bonds6

About 3-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one

3-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one (PubChem CID 23788490) has the molecular formula C19H28FNO5Si and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one
PubChem CID23788490
Molecular FormulaC19H28FNO5Si
Molecular Weight397.52 g/mol
Exact Mass397.17
IUPAC Name3-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one
SMILESCO[C@@H]1c2cc(N3CCOC3=O)ccc2O[C@H](C(CCO)[Si](C)(C)F)[C@H]1C
InChIInChI=1S/C19H28FNO5Si/c1-12-17(24-2)14-11-13(21-8-10-25-19(21)23)5-6-15(14)26-18(12)16(7-9-22)27(3,4)20/h5-6,11-12,16-18,22H,7-10H2,1-4H3/t12-,16?,17-,18-/m0/s1
InChIKeyGIVKHIQWGFOULY-DBFMJEBKSA-N
XLogP3.65
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.65
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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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one (CID 23788490) is 3-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one is CO[C@@H]1c2cc(N3CCOC3=O)ccc2O[C@H](C(CCO)[Si](C)(C)F)[C@H]1C.
What is the InChIKey of 3-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one?
The InChIKey is GIVKHIQWGFOULY-DBFMJEBKSA-N. The full InChI is InChI=1S/C19H28FNO5Si/c1-12-17(24-2)14-11-13(21-8-10-25-19(21)23)5-6-15(14)26-18(12)16(7-9-22)27(3,4)20/h5-6,11-12,16-18,22H,7-10H2,1-4H3/t12-,16?,17-,18-/m0/s1.
What are the key properties of 3-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one?
3-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one has a molecular weight of 397.52 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 23788490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).