(4S)-4-benzyl-3-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyacetyl]-1,3-oxazolidin-2-one

C27H34N2O4 — CID 10765976

IUPAC(4S)-4-benzyl-3-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyacetyl]-1,3-oxazolidin-2-one
SMILESCC1(C)CCCC(C)(C)N1OC(C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C27H34N2O4/c1-26(2)16-11-17-27(3,4)29(26)33-23(21-14-9-6-10-15-21)24(30)28-22(19-32-25(28)31)18-20-12-7-5-8-13-20/h5-10,12-15,22-23H,11,16-19H2,1-4H3/t22-,23?/m0/s1
InChIKeyUGADYFVMKFTTEH-NQCNTLBGSA-N
MW450.58 g/mol
LogP5.29
Rot. Bonds6

About (4S)-4-benzyl-3-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyacetyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyacetyl]-1,3-oxazolidin-2-one (PubChem CID 10765976) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyacetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyacetyl]-1,3-oxazolidin-2-one
PubChem CID10765976
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC Name(4S)-4-benzyl-3-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyacetyl]-1,3-oxazolidin-2-one
SMILESCC1(C)CCCC(C)(C)N1OC(C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C27H34N2O4/c1-26(2)16-11-17-27(3,4)29(26)33-23(21-14-9-6-10-15-21)24(30)28-22(19-32-25(28)31)18-20-12-7-5-8-13-20/h5-10,12-15,22-23H,11,16-19H2,1-4H3/t22-,23?/m0/s1
InChIKeyUGADYFVMKFTTEH-NQCNTLBGSA-N
XLogP5.29
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-4-benzyl-3-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyacetyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 10497286
4-benzyl-3-(3-bromo-2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 76787138
(4R)-4-benzyl-3-[(2R)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetyl]-1,3-oxazolidin-2-one
CID 69073753
(4R)-4-benzyl-3-[(2S)-3-fluoro-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 129274259
(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methylbutane-1,3-dione
CID 102120797
(3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutanal
CID 14609646
(4S)-4-benzyl-3-[(2S,3S)-2-chloro-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 10785479
(4S)-4-benzyl-3-[(2S)-2-bromo-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 14604024
(4R)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one
CID 118941522
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4S)-3-[(2S)-2-azido-2-(1-methylcyclopentyl)acetyl]-4-benzyl-1,3-oxazolidin-2-one
CID 58208642
(4S)-4-benzyl-3-[2-(3,3-dimethylcyclobutyl)acetyl]-1,3-oxazolidin-2-one
CID 156622324

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyacetyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyacetyl]-1,3-oxazolidin-2-one (CID 10765976) is (4S)-4-benzyl-3-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyacetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyacetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyacetyl]-1,3-oxazolidin-2-one is CC1(C)CCCC(C)(C)N1OC(C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyacetyl]-1,3-oxazolidin-2-one?
The InChIKey is UGADYFVMKFTTEH-NQCNTLBGSA-N. The full InChI is InChI=1S/C27H34N2O4/c1-26(2)16-11-17-27(3,4)29(26)33-23(21-14-9-6-10-15-21)24(30)28-22(19-32-25(28)31)18-20-12-7-5-8-13-20/h5-10,12-15,22-23H,11,16-19H2,1-4H3/t22-,23?/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyacetyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyacetyl]-1,3-oxazolidin-2-one has a molecular weight of 450.58 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyacetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10765976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).