(4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C17H17NO2 — CID 11086728

IUPAC(4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@H](c2ccccc2)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C17H17NO2/c1-13-16(15-10-6-3-7-11-15)20-17(19)18(13)12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/t13-,16+/m0/s1
InChIKeyUCRVTIQAEHDMGC-XJKSGUPXSA-N
MW267.33 g/mol
LogP3.77
Rot. Bonds3

About (4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one

(4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 11086728) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID11086728
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@H](c2ccccc2)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C17H17NO2/c1-13-16(15-10-6-3-7-11-15)20-17(19)18(13)12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/t13-,16+/m0/s1
InChIKeyUCRVTIQAEHDMGC-XJKSGUPXSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-5-phenyl-3-propyl-1,3-oxazolidin-2-one
CID 19370117
(4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one
CID 58484806
(4R,5R)-3-benzyl-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one
CID 146267205
(4S,5R)-1-benzyl-5-methyl-4-phenylimidazolidin-2-one
CID 131844665
(4S,5S)-3-benzyl-4-phenyl-5-[(Z)-prop-1-enyl]-1,3-oxazolidin-2-one
CID 6871923
(5S,6R)-4-benzyl-3-[(2S,3S)-3-hydroxy-2,4,4-trimethylpentanoyl]-5-methyl-6-phenyl-1,3,4-oxadiazinan-2-one
CID 102477290
(4R,5R)-3-ethyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 71101035
2-[2,4-dimethoxy-5-[2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid
CID 143857672
(5S,6S)-4,5-dimethyl-6-phenyl-3-(3-phenylpropanoyl)-1,3,4-oxadiazinan-2-one
CID 11046023
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,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one
CID 11832333

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 11086728) is (4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one is C[C@H]1[C@H](c2ccccc2)OC(=O)N1Cc1ccccc1.
What is the InChIKey of (4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is UCRVTIQAEHDMGC-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H17NO2/c1-13-16(15-10-6-3-7-11-15)20-17(19)18(13)12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/t13-,16+/m0/s1.
What are the key properties of (4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 267.33 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11086728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).