3-[[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]-1,3-oxazolidin-4-one

C28H32N2O4 — CID 154500256

IUPAC3-[[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]-1,3-oxazolidin-4-one
SMILESO=C1COCN1Cc1ccccc1OC[C@@H](O)CN1CCC(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C28H32N2O4/c31-26(18-34-27-8-4-3-7-25(27)16-30-20-33-19-28(30)32)17-29-13-11-22(12-14-29)24-10-9-21-5-1-2-6-23(21)15-24/h1-10,15,22,26,31H,11-14,16-20H2/t26-/m0/s1
InChIKeyZLCOXAIMNYHLDJ-SANMLTNESA-N
MW460.57 g/mol
LogP3.78
Rot. Bonds8

About 3-[[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]-1,3-oxazolidin-4-one

3-[[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]-1,3-oxazolidin-4-one (PubChem CID 154500256) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is 3-[[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name3-[[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]-1,3-oxazolidin-4-one
PubChem CID154500256
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC Name3-[[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]-1,3-oxazolidin-4-one
SMILESO=C1COCN1Cc1ccccc1OC[C@@H](O)CN1CCC(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C28H32N2O4/c31-26(18-34-27-8-4-3-7-25(27)16-30-20-33-19-28(30)32)17-29-13-11-22(12-14-29)24-10-9-21-5-1-2-6-23(21)15-24/h1-10,15,22,26,31H,11-14,16-20H2/t26-/m0/s1
InChIKeyZLCOXAIMNYHLDJ-SANMLTNESA-N
XLogP3.78
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(1-hydroxyethyl)-1-benzofuran-4-yl]oxy]-3-(4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol
CID 22729129
(3Z)-3-[[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methylidene]pyrrolidin-2-one
CID 18446034
1-[[3-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]pyrrolidin-2-one
CID 18446026
4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxylic acid
CID 22729075
[8-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 22729275
3-[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]-N-methoxy-N-methylprop-2-enamide
CID 139825583
(3Z)-3-[[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methylidene]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 18446031
(5Z)-5-[[2-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methylidene]-2-methyl-3-phenylimidazol-4-one
CID 22729085
3-[2-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 139825508
(E)-3-[2-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]-N-methyl-N-phenylprop-2-enamide
CID 11477925
4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-propan-2-ylindole-2-carboxamide
CID 22729214
ethyl (1R)-4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-methyl-1-(2-methylpropyl)indol-1-ium-2-carboxylate
CID 91117226

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]-1,3-oxazolidin-4-one?
The IUPAC name of 3-[[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]-1,3-oxazolidin-4-one (CID 154500256) is 3-[[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]-1,3-oxazolidin-4-one.
What is the SMILES notation for 3-[[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]-1,3-oxazolidin-4-one?
The canonical SMILES for 3-[[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]-1,3-oxazolidin-4-one is O=C1COCN1Cc1ccccc1OC[C@@H](O)CN1CCC(c2ccc3ccccc3c2)CC1.
What is the InChIKey of 3-[[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]-1,3-oxazolidin-4-one?
The InChIKey is ZLCOXAIMNYHLDJ-SANMLTNESA-N. The full InChI is InChI=1S/C28H32N2O4/c31-26(18-34-27-8-4-3-7-25(27)16-30-20-33-19-28(30)32)17-29-13-11-22(12-14-29)24-10-9-21-5-1-2-6-23(21)15-24/h1-10,15,22,26,31H,11-14,16-20H2/t26-/m0/s1.
What are the key properties of 3-[[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]-1,3-oxazolidin-4-one?
3-[[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]-1,3-oxazolidin-4-one has a molecular weight of 460.57 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]-1,3-oxazolidin-4-one is sourced from PubChem (CID 154500256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).