[(2R,4S)-4-ethyl-2-[4-[(2S,4R)-4-ethyl-4-(hydroxymethyl)-1,3-oxazolidin-2-yl]phenyl]-1,3-oxazolidin-4-yl]methanol

C18H28N2O4 — CID 101166026

IUPAC[(2R,4S)-4-ethyl-2-[4-[(2S,4R)-4-ethyl-4-(hydroxymethyl)-1,3-oxazolidin-2-yl]phenyl]-1,3-oxazolidin-4-yl]methanol
SMILESCC[C@]1(CO)CO[C@H](c2ccc([C@H]3N[C@](CC)(CO)CO3)cc2)N1
InChIInChI=1S/C18H28N2O4/c1-3-17(9-21)11-23-15(19-17)13-5-7-14(8-6-13)16-20-18(4-2,10-22)12-24-16/h5-8,15-16,19-22H,3-4,9-12H2,1-2H3/t15-,16+,17+,18-
InChIKeyZWKMXNGMHDUWQE-FZDBZEDMSA-N
MW336.43 g/mol
LogP1.21
Rot. Bonds6

About [(2R,4S)-4-ethyl-2-[4-[(2S,4R)-4-ethyl-4-(hydroxymethyl)-1,3-oxazolidin-2-yl]phenyl]-1,3-oxazolidin-4-yl]methanol

[(2R,4S)-4-ethyl-2-[4-[(2S,4R)-4-ethyl-4-(hydroxymethyl)-1,3-oxazolidin-2-yl]phenyl]-1,3-oxazolidin-4-yl]methanol (PubChem CID 101166026) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is [(2R,4S)-4-ethyl-2-[4-[(2S,4R)-4-ethyl-4-(hydroxymethyl)-1,3-oxazolidin-2-yl]phenyl]-1,3-oxazolidin-4-yl]methanol.

Molecular Properties

Compound Name[(2R,4S)-4-ethyl-2-[4-[(2S,4R)-4-ethyl-4-(hydroxymethyl)-1,3-oxazolidin-2-yl]phenyl]-1,3-oxazolidin-4-yl]methanol
PubChem CID101166026
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name[(2R,4S)-4-ethyl-2-[4-[(2S,4R)-4-ethyl-4-(hydroxymethyl)-1,3-oxazolidin-2-yl]phenyl]-1,3-oxazolidin-4-yl]methanol
SMILESCC[C@]1(CO)CO[C@H](c2ccc([C@H]3N[C@](CC)(CO)CO3)cc2)N1
InChIInChI=1S/C18H28N2O4/c1-3-17(9-21)11-23-15(19-17)13-5-7-14(8-6-13)16-20-18(4-2,10-22)12-24-16/h5-8,15-16,19-22H,3-4,9-12H2,1-2H3/t15-,16+,17+,18-
InChIKeyZWKMXNGMHDUWQE-FZDBZEDMSA-N
XLogP1.21
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [(2R,4S)-4-ethyl-2-[4-[(2S,4R)-4-ethyl-4-(hydroxymethyl)-1,3-oxazolidin-2-yl]phenyl]-1,3-oxazolidin-4-yl]methanol with MolForge

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Related Compounds

[(2R)-2-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol
CID 91413630
[(2R)-4-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]methanol
CID 90769782
4-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol
CID 82111994
[4-(hydroxymethyl)-2-methyl-1,3-oxazolidin-4-yl]methanol
CID 55299662
2-[5-ethyl-5-(hydroxymethyl)morpholin-2-yl]acetic acid;hydrochloride
CID 45259977
2-(3-bromo-4-fluorophenyl)-5,5-diethylmorpholine
CID 62914274
3,3-diethyl-4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine
CID 62519492
2-(3-chloro-4-fluorophenyl)-5,5-diethylmorpholine
CID 62518626
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethyl-1,3-oxazolidine
CID 82116569
2-(2-ethoxyphenyl)-4,4-dimethyl-1,3-oxazolidine
CID 82114526
3-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol;hydrochloride
CID 117228463
2-(4-ethoxyphenyl)-5,5-dimethyl-1,3-dioxane
CID 70936321

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-ethyl-2-[4-[(2S,4R)-4-ethyl-4-(hydroxymethyl)-1,3-oxazolidin-2-yl]phenyl]-1,3-oxazolidin-4-yl]methanol?
The IUPAC name of [(2R,4S)-4-ethyl-2-[4-[(2S,4R)-4-ethyl-4-(hydroxymethyl)-1,3-oxazolidin-2-yl]phenyl]-1,3-oxazolidin-4-yl]methanol (CID 101166026) is [(2R,4S)-4-ethyl-2-[4-[(2S,4R)-4-ethyl-4-(hydroxymethyl)-1,3-oxazolidin-2-yl]phenyl]-1,3-oxazolidin-4-yl]methanol.
What is the SMILES notation for [(2R,4S)-4-ethyl-2-[4-[(2S,4R)-4-ethyl-4-(hydroxymethyl)-1,3-oxazolidin-2-yl]phenyl]-1,3-oxazolidin-4-yl]methanol?
The canonical SMILES for [(2R,4S)-4-ethyl-2-[4-[(2S,4R)-4-ethyl-4-(hydroxymethyl)-1,3-oxazolidin-2-yl]phenyl]-1,3-oxazolidin-4-yl]methanol is CC[C@]1(CO)CO[C@H](c2ccc([C@H]3N[C@](CC)(CO)CO3)cc2)N1.
What is the InChIKey of [(2R,4S)-4-ethyl-2-[4-[(2S,4R)-4-ethyl-4-(hydroxymethyl)-1,3-oxazolidin-2-yl]phenyl]-1,3-oxazolidin-4-yl]methanol?
The InChIKey is ZWKMXNGMHDUWQE-FZDBZEDMSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-3-17(9-21)11-23-15(19-17)13-5-7-14(8-6-13)16-20-18(4-2,10-22)12-24-16/h5-8,15-16,19-22H,3-4,9-12H2,1-2H3/t15-,16+,17+,18-.
What are the key properties of [(2R,4S)-4-ethyl-2-[4-[(2S,4R)-4-ethyl-4-(hydroxymethyl)-1,3-oxazolidin-2-yl]phenyl]-1,3-oxazolidin-4-yl]methanol?
[(2R,4S)-4-ethyl-2-[4-[(2S,4R)-4-ethyl-4-(hydroxymethyl)-1,3-oxazolidin-2-yl]phenyl]-1,3-oxazolidin-4-yl]methanol has a molecular weight of 336.43 g/mol, XLogP of 1.21, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-ethyl-2-[4-[(2S,4R)-4-ethyl-4-(hydroxymethyl)-1,3-oxazolidin-2-yl]phenyl]-1,3-oxazolidin-4-yl]methanol is sourced from PubChem (CID 101166026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).