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

C16H15NO3 — CID 10825839

IUPAC(3S,4S)-2-benzyl-4-hydroxy-3-phenyl-1,2-oxazolidin-5-one
SMILESO=C1ON(Cc2ccccc2)[C@@H](c2ccccc2)[C@@H]1O
InChIInChI=1S/C16H15NO3/c18-15-14(13-9-5-2-6-10-13)17(20-16(15)19)11-12-7-3-1-4-8-12/h1-10,14-15,18H,11H2/t14-,15-/m0/s1
InChIKeyUAEZICAWNWVCQI-GJZGRUSLSA-N
MW269.30 g/mol
LogP2.06
Rot. Bonds3

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

(3S,4S)-2-benzyl-4-hydroxy-3-phenyl-1,2-oxazolidin-5-one (PubChem CID 10825839) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (3S,4S)-2-benzyl-4-hydroxy-3-phenyl-1,2-oxazolidin-5-one.

Molecular Properties

Compound Name(3S,4S)-2-benzyl-4-hydroxy-3-phenyl-1,2-oxazolidin-5-one
PubChem CID10825839
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(3S,4S)-2-benzyl-4-hydroxy-3-phenyl-1,2-oxazolidin-5-one
SMILESO=C1ON(Cc2ccccc2)[C@@H](c2ccccc2)[C@@H]1O
InChIInChI=1S/C16H15NO3/c18-15-14(13-9-5-2-6-10-13)17(20-16(15)19)11-12-7-3-1-4-8-12/h1-10,14-15,18H,11H2/t14-,15-/m0/s1
InChIKeyUAEZICAWNWVCQI-GJZGRUSLSA-N
XLogP2.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2R)-1-(4,4-diphenylbut-3-enyl)pyrrolidin-2-yl]-2-hydroxyacetic acid
CID 118727502
(2R)-2-[(2R)-1-(4,4-diphenylbut-3-enyl)pyrrolidin-2-yl]-2-hydroxyacetic acid
CID 118727501
ethyl (2R,3S)-3-(benzylamino)-3-(4-fluorophenyl)-2-hydroxypropanoate
CID 12174481
ethyl (2R,3R)-3-(benzylamino)-3-(4-fluorophenyl)-2-hydroxypropanoate
CID 101428408
methyl (2R,3S)-3-(2-fluorophenyl)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propanoate
CID 53681935
methyl (2R,3S)-3-(4-fluorophenyl)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propanoate
CID 53882501
(2R,3S)-3-(2-fluorophenyl)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propanoic acid
CID 54470301
(2R,3S)-3-(4-fluorophenyl)-2-hydroxy-3-(1-phenylethylamino)propanoic acid
CID 67583735
(2R,3S)-3-(4-fluorophenyl)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propanoic acid
CID 67704784
(2R,3S)-3-(4-fluorophenyl)-2-hydroxy-3-(2-phenylethylamino)propanoic acid
CID 67704791
(2R,3S)-2-hydroxy-3-(2-phenylethylamino)-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 67704803
Methyl 3-(4-fluorophenyl)-2-hydroxy-3-(1-phenylethylamino)propanoate
CID 76080648

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-2-benzyl-4-hydroxy-3-phenyl-1,2-oxazolidin-5-one?
The IUPAC name of (3S,4S)-2-benzyl-4-hydroxy-3-phenyl-1,2-oxazolidin-5-one (CID 10825839) is (3S,4S)-2-benzyl-4-hydroxy-3-phenyl-1,2-oxazolidin-5-one.
What is the SMILES notation for (3S,4S)-2-benzyl-4-hydroxy-3-phenyl-1,2-oxazolidin-5-one?
The canonical SMILES for (3S,4S)-2-benzyl-4-hydroxy-3-phenyl-1,2-oxazolidin-5-one is O=C1ON(Cc2ccccc2)[C@@H](c2ccccc2)[C@@H]1O.
What is the InChIKey of (3S,4S)-2-benzyl-4-hydroxy-3-phenyl-1,2-oxazolidin-5-one?
The InChIKey is UAEZICAWNWVCQI-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H15NO3/c18-15-14(13-9-5-2-6-10-13)17(20-16(15)19)11-12-7-3-1-4-8-12/h1-10,14-15,18H,11H2/t14-,15-/m0/s1.
What are the key properties of (3S,4S)-2-benzyl-4-hydroxy-3-phenyl-1,2-oxazolidin-5-one?
(3S,4S)-2-benzyl-4-hydroxy-3-phenyl-1,2-oxazolidin-5-one has a molecular weight of 269.30 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-2-benzyl-4-hydroxy-3-phenyl-1,2-oxazolidin-5-one is sourced from PubChem (CID 10825839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).