3-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C20H28FN3O4Si — CID 70203307

IUPAC3-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCc1cnc(-c2ccc(N3CC(CO)OC3=O)cc2F)[nH]1
InChIInChI=1S/C20H28FN3O4Si/c1-20(2,3)29(4,5)27-12-13-9-22-18(23-13)16-7-6-14(8-17(16)21)24-10-15(11-25)28-19(24)26/h6-9,15,25H,10-12H2,1-5H3,(H,22,23)
InChIKeyWQTFXUMWZAKTQM-UHFFFAOYSA-N
MW421.55 g/mol
LogP4.06
Rot. Bonds6

About 3-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

3-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 70203307) has the molecular formula C20H28FN3O4Si and a molecular weight of 421.55 g/mol. Its IUPAC name is 3-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID70203307
Molecular FormulaC20H28FN3O4Si
Molecular Weight421.55 g/mol
Exact Mass421.18
IUPAC Name3-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCc1cnc(-c2ccc(N3CC(CO)OC3=O)cc2F)[nH]1
InChIInChI=1S/C20H28FN3O4Si/c1-20(2,3)29(4,5)27-12-13-9-22-18(23-13)16-7-6-14(8-17(16)21)24-10-15(11-25)28-19(24)26/h6-9,15,25H,10-12H2,1-5H3,(H,22,23)
InChIKeyWQTFXUMWZAKTQM-UHFFFAOYSA-N
XLogP4.06
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 58756483
2,2-dichloro-N-[[3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 69173881
(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10411371
2-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1H-imidazole-5-carbonitrile
CID 70209131
N-[[3-[3-fluoro-4-[5-(pyrazol-1-ylmethyl)-1H-imidazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-sulfanylacetamide
CID 87731879
3-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 76556203
(5R)-3-[3-fluoro-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 155004518
5-(azidomethyl)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 18378824
[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]boronic acid;methane
CID 145042333
(5R)-3-[3-fluoro-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 171347706
tert-butyl (2S)-4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydro-1H-pyrrole-3-carboxylate
CID 70283483
(5R)-3-[3-fluoro-4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 11440117

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 70203307) is 3-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is CC(C)(C)[Si](C)(C)OCc1cnc(-c2ccc(N3CC(CO)OC3=O)cc2F)[nH]1.
What is the InChIKey of 3-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is WQTFXUMWZAKTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O4Si/c1-20(2,3)29(4,5)27-12-13-9-22-18(23-13)16-7-6-14(8-17(16)21)24-10-15(11-25)28-19(24)26/h6-9,15,25H,10-12H2,1-5H3,(H,22,23).
What are the key properties of 3-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
3-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 421.55 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 70203307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).