(4S,5R)-5-ethyl-4-hydroxy-3-(2-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one

C9H17NO4 — CID 684525

IUPAC(4S,5R)-5-ethyl-4-hydroxy-3-(2-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC[C@@]1(C)OC(=O)N(CCO)[C@@]1(C)O
InChIInChI=1S/C9H17NO4/c1-4-8(2)9(3,13)10(5-6-11)7(12)14-8/h11,13H,4-6H2,1-3H3/t8-,9+/m1/s1
InChIKeyDJSDQXWHHHHCGX-BDAKNGLRSA-N
MW203.24 g/mol
LogP0.31
Rot. Bonds3

About (4S,5R)-5-ethyl-4-hydroxy-3-(2-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one

(4S,5R)-5-ethyl-4-hydroxy-3-(2-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 684525) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is (4S,5R)-5-ethyl-4-hydroxy-3-(2-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-ethyl-4-hydroxy-3-(2-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID684525
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name(4S,5R)-5-ethyl-4-hydroxy-3-(2-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC[C@@]1(C)OC(=O)N(CCO)[C@@]1(C)O
InChIInChI=1S/C9H17NO4/c1-4-8(2)9(3,13)10(5-6-11)7(12)14-8/h11,13H,4-6H2,1-3H3/t8-,9+/m1/s1
InChIKeyDJSDQXWHHHHCGX-BDAKNGLRSA-N
XLogP0.31
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-ethyl-4-hydroxy-3-(2-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-ethyl-4-hydroxy-3-(2-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one (CID 684525) is (4S,5R)-5-ethyl-4-hydroxy-3-(2-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-ethyl-4-hydroxy-3-(2-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-ethyl-4-hydroxy-3-(2-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one is CC[C@@]1(C)OC(=O)N(CCO)[C@@]1(C)O.
What is the InChIKey of (4S,5R)-5-ethyl-4-hydroxy-3-(2-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is DJSDQXWHHHHCGX-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H17NO4/c1-4-8(2)9(3,13)10(5-6-11)7(12)14-8/h11,13H,4-6H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of (4S,5R)-5-ethyl-4-hydroxy-3-(2-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one?
(4S,5R)-5-ethyl-4-hydroxy-3-(2-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 203.24 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-ethyl-4-hydroxy-3-(2-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 684525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).