(4R,5S)-5-methyl-4-(2-methylpropyl)-3-phenylmethoxy-1,3-oxazolidin-2-one

C15H21NO3 — CID 131848700

IUPAC(4R,5S)-5-methyl-4-(2-methylpropyl)-3-phenylmethoxy-1,3-oxazolidin-2-one
SMILESCC(C)C[C@@H]1[C@H](C)OC(=O)N1OCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-11(2)9-14-12(3)19-15(17)16(14)18-10-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3/t12-,14+/m0/s1
InChIKeyLEZOQPVDOIHMOH-GXTWGEPZSA-N
MW263.34 g/mol
LogP3.37
Rot. Bonds5

About (4R,5S)-5-methyl-4-(2-methylpropyl)-3-phenylmethoxy-1,3-oxazolidin-2-one

(4R,5S)-5-methyl-4-(2-methylpropyl)-3-phenylmethoxy-1,3-oxazolidin-2-one (PubChem CID 131848700) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (4R,5S)-5-methyl-4-(2-methylpropyl)-3-phenylmethoxy-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-5-methyl-4-(2-methylpropyl)-3-phenylmethoxy-1,3-oxazolidin-2-one
PubChem CID131848700
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(4R,5S)-5-methyl-4-(2-methylpropyl)-3-phenylmethoxy-1,3-oxazolidin-2-one
SMILESCC(C)C[C@@H]1[C@H](C)OC(=O)N1OCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-11(2)9-14-12(3)19-15(17)16(14)18-10-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3/t12-,14+/m0/s1
InChIKeyLEZOQPVDOIHMOH-GXTWGEPZSA-N
XLogP3.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-phenylmethoxy-2-propan-2-yl-1,3-thiazolidin-4-one
CID 141490846
(3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one
CID 10104396
(4R)-4-methyl-1-phenylmethoxyazetidin-2-one
CID 16752815
(4R,5R)-3-benzyl-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one
CID 146267205
(2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid
CID 89169658
5,5-dimethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidin-4-one
CID 141466755
4-(2-methylhexyl)-1-phenylmethoxyazetidin-2-one
CID 69338065
propan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate
CID 14988500
(4S,5S)-3-benzyl-4-[(E)-3-methylbut-1-enyl]-5-propan-2-yl-1,3-oxazolidin-2-one
CID 11044401
(3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one
CID 164662534
ethyl 2-benzyl-5-(2-methylpropyl)-3,6-dioxo-4-phenylmethoxypiperazine-2-carboxylate
CID 19969576
ethane;methyl formate;6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 144936982

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-methyl-4-(2-methylpropyl)-3-phenylmethoxy-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-5-methyl-4-(2-methylpropyl)-3-phenylmethoxy-1,3-oxazolidin-2-one (CID 131848700) is (4R,5S)-5-methyl-4-(2-methylpropyl)-3-phenylmethoxy-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-5-methyl-4-(2-methylpropyl)-3-phenylmethoxy-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-5-methyl-4-(2-methylpropyl)-3-phenylmethoxy-1,3-oxazolidin-2-one is CC(C)C[C@@H]1[C@H](C)OC(=O)N1OCc1ccccc1.
What is the InChIKey of (4R,5S)-5-methyl-4-(2-methylpropyl)-3-phenylmethoxy-1,3-oxazolidin-2-one?
The InChIKey is LEZOQPVDOIHMOH-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(2)9-14-12(3)19-15(17)16(14)18-10-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3/t12-,14+/m0/s1.
What are the key properties of (4R,5S)-5-methyl-4-(2-methylpropyl)-3-phenylmethoxy-1,3-oxazolidin-2-one?
(4R,5S)-5-methyl-4-(2-methylpropyl)-3-phenylmethoxy-1,3-oxazolidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-methyl-4-(2-methylpropyl)-3-phenylmethoxy-1,3-oxazolidin-2-one is sourced from PubChem (CID 131848700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).