(4R,5R)-3-benzyl-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one

C12H15NO3 — CID 146267205

IUPAC(4R,5R)-3-benzyl-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1OC(=O)N(Cc2ccccc2)[C@@H]1CO
InChIInChI=1S/C12H15NO3/c1-9-11(8-14)13(12(15)16-9)7-10-5-3-2-4-6-10/h2-6,9,11,14H,7-8H2,1H3/t9-,11-/m1/s1
InChIKeyYWQRCWUFAFEJGI-MWLCHTKSSA-N
MW221.26 g/mol
LogP1.39
Rot. Bonds3

About (4R,5R)-3-benzyl-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one

(4R,5R)-3-benzyl-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one (PubChem CID 146267205) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (4R,5R)-3-benzyl-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-3-benzyl-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one
PubChem CID146267205
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(4R,5R)-3-benzyl-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1OC(=O)N(Cc2ccccc2)[C@@H]1CO
InChIInChI=1S/C12H15NO3/c1-9-11(8-14)13(12(15)16-9)7-10-5-3-2-4-6-10/h2-6,9,11,14H,7-8H2,1H3/t9-,11-/m1/s1
InChIKeyYWQRCWUFAFEJGI-MWLCHTKSSA-N
XLogP1.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11086728
(3R,4S)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one
CID 23243964
(4R,5S)-3-benzyl-5-[(1S)-1,2-dihydroxyethyl]-4-tetradecyl-1,3-oxazolidin-2-one
CID 56653265
(4S,5R)-3-benzyl-4-(hydroxymethyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
CID 58605835
(4R,5S)-5-methyl-4-(2-methylpropyl)-3-phenylmethoxy-1,3-oxazolidin-2-one
CID 131848700
methyl (1R,4S,5S,7R)-3-benzyl-4-(hydroxymethyl)-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate
CID 11098837
3-benzyl-4-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one
CID 101352967
1-benzyl-4-methyl-3-methylideneazetidin-2-one
CID 12680777
(4R)-1-benzyl-4-(hydroxymethyl)azetidin-2-one
CID 10856298
(4R,5S)-3-benzyl-5-(2-chlorophenyl)-4-hydroxy-1,3-oxazolidin-2-one
CID 68641056
4-benzyl-2,2-difluoro-5-(hydroxymethyl)-6-methylmorpholine-3,3-diol
CID 176684273
(3aR,7aS)-3-benzyl-3a,4,7,7a-tetrahydro-1,3-benzoxazol-2-one
CID 15530655

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3-benzyl-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-3-benzyl-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one (CID 146267205) is (4R,5R)-3-benzyl-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-3-benzyl-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-3-benzyl-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one is C[C@H]1OC(=O)N(Cc2ccccc2)[C@@H]1CO.
What is the InChIKey of (4R,5R)-3-benzyl-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is YWQRCWUFAFEJGI-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9-11(8-14)13(12(15)16-9)7-10-5-3-2-4-6-10/h2-6,9,11,14H,7-8H2,1H3/t9-,11-/m1/s1.
What are the key properties of (4R,5R)-3-benzyl-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one?
(4R,5R)-3-benzyl-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3-benzyl-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 146267205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).