(4R,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methoxy-1,3-oxazolidin-2-one

C7H13NO4 — CID 102316859

IUPAC(4R,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methoxy-1,3-oxazolidin-2-one
SMILESCO[C@H]1NC(=O)O[C@@H]1[C@@H](C)CO
InChIInChI=1S/C7H13NO4/c1-4(3-9)5-6(11-2)8-7(10)12-5/h4-6,9H,3H2,1-2H3,(H,8,10)/t4-,5+,6+/m0/s1
InChIKeyOZRDRGINHGLHLN-KVQBGUIXSA-N
MW175.18 g/mol
LogP-0.30
Rot. Bonds3

About (4R,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methoxy-1,3-oxazolidin-2-one

(4R,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methoxy-1,3-oxazolidin-2-one (PubChem CID 102316859) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is (4R,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methoxy-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methoxy-1,3-oxazolidin-2-one
PubChem CID102316859
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name(4R,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methoxy-1,3-oxazolidin-2-one
SMILESCO[C@H]1NC(=O)O[C@@H]1[C@@H](C)CO
InChIInChI=1S/C7H13NO4/c1-4(3-9)5-6(11-2)8-7(10)12-5/h4-6,9H,3H2,1-2H3,(H,8,10)/t4-,5+,6+/m0/s1
InChIKeyOZRDRGINHGLHLN-KVQBGUIXSA-N
XLogP-0.30
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methoxy-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-(1,1-difluoro-2-hydroxyethyl)-4-methoxy-1,3-oxazolidin-2-one
CID 85112783
(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one
CID 59706737
4-methoxy-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 14083777
(4R,5R)-5-[(2S)-butan-2-yl]-4-methyl-1,3-oxazolidin-2-one
CID 130754451
5-butan-2-yl-4-methyl-1,3-oxazolidin-2-one
CID 14742430
(4S,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methyloxolan-2-one
CID 102210599
5-(dihydroxymethyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 130149480
(3R,5S,6S)-6-[(2S)-1-hydroxypropan-2-yl]-3,5-dimethyloxan-2-one
CID 10997748
methyl (4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-5-carboxylate
CID 102256348
3,4-dihydroxy-2-(1-hydroxypropan-2-yl)-2H-furan-5-one
CID 54684743
(4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-methyl-1,3-oxazolidin-2-one
CID 135043486
4-hydroxy-5-methoxyimidazolidin-2-one
CID 3023814

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methoxy-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methoxy-1,3-oxazolidin-2-one (CID 102316859) is (4R,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methoxy-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methoxy-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methoxy-1,3-oxazolidin-2-one is CO[C@H]1NC(=O)O[C@@H]1[C@@H](C)CO.
What is the InChIKey of (4R,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methoxy-1,3-oxazolidin-2-one?
The InChIKey is OZRDRGINHGLHLN-KVQBGUIXSA-N. The full InChI is InChI=1S/C7H13NO4/c1-4(3-9)5-6(11-2)8-7(10)12-5/h4-6,9H,3H2,1-2H3,(H,8,10)/t4-,5+,6+/m0/s1.
What are the key properties of (4R,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methoxy-1,3-oxazolidin-2-one?
(4R,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methoxy-1,3-oxazolidin-2-one has a molecular weight of 175.18 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methoxy-1,3-oxazolidin-2-one is sourced from PubChem (CID 102316859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).