4-benzyl-3-[(1S)-2-(4-hydroxyphenyl)-1-phenoxyethyl]-1,3-oxazolidin-2-one

C24H23NO4 — CID 67697022

IUPAC4-benzyl-3-[(1S)-2-(4-hydroxyphenyl)-1-phenoxyethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCC(Cc2ccccc2)N1[C@H](Cc1ccc(O)cc1)Oc1ccccc1
InChIInChI=1S/C24H23NO4/c26-21-13-11-19(12-14-21)16-23(29-22-9-5-2-6-10-22)25-20(17-28-24(25)27)15-18-7-3-1-4-8-18/h1-14,20,23,26H,15-17H2/t20?,23-/m0/s1
InChIKeyNLWPJRYIHWDNMI-AKRCKQFNSA-N
MW389.45 g/mol
LogP4.40
Rot. Bonds7

About 4-benzyl-3-[(1S)-2-(4-hydroxyphenyl)-1-phenoxyethyl]-1,3-oxazolidin-2-one

4-benzyl-3-[(1S)-2-(4-hydroxyphenyl)-1-phenoxyethyl]-1,3-oxazolidin-2-one (PubChem CID 67697022) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 4-benzyl-3-[(1S)-2-(4-hydroxyphenyl)-1-phenoxyethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[(1S)-2-(4-hydroxyphenyl)-1-phenoxyethyl]-1,3-oxazolidin-2-one
PubChem CID67697022
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name4-benzyl-3-[(1S)-2-(4-hydroxyphenyl)-1-phenoxyethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCC(Cc2ccccc2)N1[C@H](Cc1ccc(O)cc1)Oc1ccccc1
InChIInChI=1S/C24H23NO4/c26-21-13-11-19(12-14-21)16-23(29-22-9-5-2-6-10-22)25-20(17-28-24(25)27)15-18-7-3-1-4-8-18/h1-14,20,23,26H,15-17H2/t20?,23-/m0/s1
InChIKeyNLWPJRYIHWDNMI-AKRCKQFNSA-N
XLogP4.40
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-benzyl-3-[(1S)-2-(4-hydroxyphenyl)-1-phenoxyethyl]-1,3-oxazolidin-2-one
CID 54118311
(4S)-4-benzyl-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 58566621
(4R)-4-benzyl-3-(1-sulfanylethyl)-1,3-oxazolidin-2-one
CID 170024134
4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 68997353
(4S)-4-benzyl-3-[(1S)-1-sulfanylethyl]-1,3-oxazolidin-2-one
CID 139924962
(4R)-4-benzyl-3-[(1R)-1-sulfanylethyl]-1,3-oxazolidin-2-one
CID 139924961
ethyl 2-[(4S)-2-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidin-3-yl]pentanoate
CID 139677052
(4R)-4-benzyl-3-[(2S)-2-benzyl-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 10545886
(4S)-3-[benzotriazol-2-yl(pyridin-2-yl)methyl]-4-benzyl-1,3-oxazolidin-2-one
CID 100935570
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
benzyl 3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate
CID 70043070
benzyl (3R)-3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate
CID 18658173

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[(1S)-2-(4-hydroxyphenyl)-1-phenoxyethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[(1S)-2-(4-hydroxyphenyl)-1-phenoxyethyl]-1,3-oxazolidin-2-one (CID 67697022) is 4-benzyl-3-[(1S)-2-(4-hydroxyphenyl)-1-phenoxyethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[(1S)-2-(4-hydroxyphenyl)-1-phenoxyethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[(1S)-2-(4-hydroxyphenyl)-1-phenoxyethyl]-1,3-oxazolidin-2-one is O=C1OCC(Cc2ccccc2)N1[C@H](Cc1ccc(O)cc1)Oc1ccccc1.
What is the InChIKey of 4-benzyl-3-[(1S)-2-(4-hydroxyphenyl)-1-phenoxyethyl]-1,3-oxazolidin-2-one?
The InChIKey is NLWPJRYIHWDNMI-AKRCKQFNSA-N. The full InChI is InChI=1S/C24H23NO4/c26-21-13-11-19(12-14-21)16-23(29-22-9-5-2-6-10-22)25-20(17-28-24(25)27)15-18-7-3-1-4-8-18/h1-14,20,23,26H,15-17H2/t20?,23-/m0/s1.
What are the key properties of 4-benzyl-3-[(1S)-2-(4-hydroxyphenyl)-1-phenoxyethyl]-1,3-oxazolidin-2-one?
4-benzyl-3-[(1S)-2-(4-hydroxyphenyl)-1-phenoxyethyl]-1,3-oxazolidin-2-one has a molecular weight of 389.45 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[(1S)-2-(4-hydroxyphenyl)-1-phenoxyethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67697022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).