(4R)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-phenyl-1,3-oxazolidin-2-one

C18H19NO3 — CID 15349927

IUPAC(4R)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](c2ccccc2)N1[C@H](CO)Cc1ccccc1
InChIInChI=1S/C18H19NO3/c20-12-16(11-14-7-3-1-4-8-14)19-17(13-22-18(19)21)15-9-5-2-6-10-15/h1-10,16-17,20H,11-13H2/t16-,17-/m0/s1
InChIKeyORMLFKNKRRWLOR-IRXDYDNUSA-N
MW297.35 g/mol
LogP2.78
Rot. Bonds5

About (4R)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 15349927) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (4R)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID15349927
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(4R)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](c2ccccc2)N1[C@H](CO)Cc1ccccc1
InChIInChI=1S/C18H19NO3/c20-12-16(11-14-7-3-1-4-8-14)19-17(13-22-18(19)21)15-9-5-2-6-10-15/h1-10,16-17,20H,11-13H2/t16-,17-/m0/s1
InChIKeyORMLFKNKRRWLOR-IRXDYDNUSA-N
XLogP2.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(4-Chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150200
3-Benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 3872332
(4S)-4-phenyl-3-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]-1,3-oxazolidin-2-one
CID 71713801
(2R)-2-[(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]-2-phenylethanol
CID 44598248
(2R)-2-[(2S,5S)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]-2-phenylethanol
CID 44598250
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
(4R)-3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134144946
(4S)-3-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134148211
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
octyl N-benzyl-N-[3-[benzyl(octoxycarbonyl)amino]-2-hydroxy-propyl]carbamate
CID 469841
(4R)-4-phenyl-3-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]-1,3-oxazolidin-2-one
CID 71713802

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 15349927) is (4R)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-phenyl-1,3-oxazolidin-2-one is O=C1OC[C@@H](c2ccccc2)N1[C@H](CO)Cc1ccccc1.
What is the InChIKey of (4R)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is ORMLFKNKRRWLOR-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H19NO3/c20-12-16(11-14-7-3-1-4-8-14)19-17(13-22-18(19)21)15-9-5-2-6-10-15/h1-10,16-17,20H,11-13H2/t16-,17-/m0/s1.
What are the key properties of (4R)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 297.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15349927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).