(4S,5R)-3-benzyl-4-cyclobutyl-5-[(2S)-1-hydroxy-3-methoxypropan-2-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one

C19H27NO5 — CID 135032390

IUPAC(4S,5R)-3-benzyl-4-cyclobutyl-5-[(2S)-1-hydroxy-3-methoxypropan-2-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCOC[C@H](CO)[C@H]1OC(=O)N(Cc2ccccc2)[C@]1(CO)C1CCC1
InChIInChI=1S/C19H27NO5/c1-24-12-15(11-21)17-19(13-22,16-8-5-9-16)20(18(23)25-17)10-14-6-3-2-4-7-14/h2-4,6-7,15-17,21-22H,5,8-13H2,1H3/t15-,17+,19+/m0/s1
InChIKeyHONMXJAXRFURQI-KVSKMBFKSA-N
MW349.43 g/mol
LogP1.79
Rot. Bonds8

About (4S,5R)-3-benzyl-4-cyclobutyl-5-[(2S)-1-hydroxy-3-methoxypropan-2-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one

(4S,5R)-3-benzyl-4-cyclobutyl-5-[(2S)-1-hydroxy-3-methoxypropan-2-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 135032390) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is (4S,5R)-3-benzyl-4-cyclobutyl-5-[(2S)-1-hydroxy-3-methoxypropan-2-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-benzyl-4-cyclobutyl-5-[(2S)-1-hydroxy-3-methoxypropan-2-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID135032390
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name(4S,5R)-3-benzyl-4-cyclobutyl-5-[(2S)-1-hydroxy-3-methoxypropan-2-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCOC[C@H](CO)[C@H]1OC(=O)N(Cc2ccccc2)[C@]1(CO)C1CCC1
InChIInChI=1S/C19H27NO5/c1-24-12-15(11-21)17-19(13-22,16-8-5-9-16)20(18(23)25-17)10-14-6-3-2-4-7-14/h2-4,6-7,15-17,21-22H,5,8-13H2,1H3/t15-,17+,19+/m0/s1
InChIKeyHONMXJAXRFURQI-KVSKMBFKSA-N
XLogP1.79
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-(3-hydroxyprop-1-en-2-yl)-1,3-oxazolidin-2-one
CID 59254763
(4S)-4-[(1S)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 71009150
tert-butyl (2S,3S,5S)-5-(3-fluorophenyl)-3-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate
CID 141700773
tert-butyl (2S,3R,5S)-5-(3-fluorophenyl)-3-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate
CID 141700835
tert-butyl (4R)-2-tert-butyl-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carboxylate
CID 142335514
Tert-butyl 5-(3-fluorophenyl)-3-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate
CID 172862137
(4S,5S)-5-ethyl-3-[(1S)-2-hydroxy-1-phenylethyl]-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 11334854
tert-butyl (2S,3S,4S,5R)-4-hydroxy-2,3-dimethyl-5-phenylpyrrolidine-1-carboxylate
CID 102179479
(3aS,7S,7aR)-3,5-dibenzyl-3a-cyclobutyl-7-(hydroxymethyl)-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 132942615
(3aR,7R,7aS)-3,5-dibenzyl-3a-cyclobutyl-7-(hydroxymethyl)-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 132942616
[2-[(4S,5R)-3-benzyl-4-cyclobutyl-4-(methylsulfonyloxymethyl)-2-oxo-1,3-oxazolidin-5-yl]-3-methoxypropyl] methanesulfonate
CID 135031456
(4S,5R)-3-benzyl-4-cyclobutyl-5-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 135031771

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-benzyl-4-cyclobutyl-5-[(2S)-1-hydroxy-3-methoxypropan-2-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-benzyl-4-cyclobutyl-5-[(2S)-1-hydroxy-3-methoxypropan-2-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 135032390) is (4S,5R)-3-benzyl-4-cyclobutyl-5-[(2S)-1-hydroxy-3-methoxypropan-2-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-benzyl-4-cyclobutyl-5-[(2S)-1-hydroxy-3-methoxypropan-2-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-benzyl-4-cyclobutyl-5-[(2S)-1-hydroxy-3-methoxypropan-2-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one is COC[C@H](CO)[C@H]1OC(=O)N(Cc2ccccc2)[C@]1(CO)C1CCC1.
What is the InChIKey of (4S,5R)-3-benzyl-4-cyclobutyl-5-[(2S)-1-hydroxy-3-methoxypropan-2-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is HONMXJAXRFURQI-KVSKMBFKSA-N. The full InChI is InChI=1S/C19H27NO5/c1-24-12-15(11-21)17-19(13-22,16-8-5-9-16)20(18(23)25-17)10-14-6-3-2-4-7-14/h2-4,6-7,15-17,21-22H,5,8-13H2,1H3/t15-,17+,19+/m0/s1.
What are the key properties of (4S,5R)-3-benzyl-4-cyclobutyl-5-[(2S)-1-hydroxy-3-methoxypropan-2-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
(4S,5R)-3-benzyl-4-cyclobutyl-5-[(2S)-1-hydroxy-3-methoxypropan-2-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 349.43 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-benzyl-4-cyclobutyl-5-[(2S)-1-hydroxy-3-methoxypropan-2-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 135032390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).