(4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one

C10H11NO3 — CID 101245141

IUPAC(4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](CO)[C@@H](c2ccccc2)O1
InChIInChI=1S/C10H11NO3/c12-6-8-9(14-10(13)11-8)7-4-2-1-3-5-7/h1-5,8-9,12H,6H2,(H,11,13)/t8-,9+/m0/s1
InChIKeyVUTZOFOFUVLOLO-DTWKUNHWSA-N
MW193.20 g/mol
LogP0.83
Rot. Bonds2

About (4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one

(4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 101245141) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one
PubChem CID101245141
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](CO)[C@@H](c2ccccc2)O1
InChIInChI=1S/C10H11NO3/c12-6-8-9(14-10(13)11-8)7-4-2-1-3-5-7/h1-5,8-9,12H,6H2,(H,11,13)/t8-,9+/m0/s1
InChIKeyVUTZOFOFUVLOLO-DTWKUNHWSA-N
XLogP0.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5S)-5-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 101245138
(4S,5R)-4-(chloromethyl)-5-phenyl-1,3-oxazolidin-2-one
CID 102031796
4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one
CID 14553806
(4R,5R)-5-cyclohexa-1,5-dien-3-yn-1-yl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 122484692
5-(2-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115062399
4-(hydroxymethyl)-5-(2-methylphenyl)-1,3-oxazolidin-2-one
CID 115062397
methyl 2-[(4S,5R)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]acetate
CID 11791154
5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115062429
2-[5-(4-bromophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid
CID 70223580
(4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 70829759
methyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
CID 121224065
2-[(4R,5S)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]propanoic acid
CID 57373165

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one (CID 101245141) is (4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one is O=C1N[C@@H](CO)[C@@H](c2ccccc2)O1.
What is the InChIKey of (4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is VUTZOFOFUVLOLO-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H11NO3/c12-6-8-9(14-10(13)11-8)7-4-2-1-3-5-7/h1-5,8-9,12H,6H2,(H,11,13)/t8-,9+/m0/s1.
What are the key properties of (4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one?
(4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 193.20 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101245141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).