(4S,5R)-5-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-4-hydroxy-4,5-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazolidin-2-one

C21H34N2O3 — CID 98056495

IUPAC(4S,5R)-5-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-4-hydroxy-4,5-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazolidin-2-one
SMILESCC1(C)CC(N2C(=O)O[C@](C)([C@@H]3C[C@H]4C=C[C@H]3C4)[C@]2(C)O)CC(C)(C)N1
InChIInChI=1S/C21H34N2O3/c1-18(2)11-15(12-19(3,4)22-18)23-17(24)26-20(5,21(23,6)25)16-10-13-7-8-14(16)9-13/h7-8,13-16,22,25H,9-12H2,1-6H3/t13-,14-,16+,20+,21-/m0/s1
InChIKeySDQQXVQAAOQUIZ-VGTPPEPASA-N
MW362.51 g/mol
LogP3.43
Rot. Bonds2

About (4S,5R)-5-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-4-hydroxy-4,5-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazolidin-2-one

(4S,5R)-5-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-4-hydroxy-4,5-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazolidin-2-one (PubChem CID 98056495) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is (4S,5R)-5-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-4-hydroxy-4,5-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-4-hydroxy-4,5-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazolidin-2-one
PubChem CID98056495
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name(4S,5R)-5-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-4-hydroxy-4,5-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazolidin-2-one
SMILESCC1(C)CC(N2C(=O)O[C@](C)([C@@H]3C[C@H]4C=C[C@H]3C4)[C@]2(C)O)CC(C)(C)N1
InChIInChI=1S/C21H34N2O3/c1-18(2)11-15(12-19(3,4)22-18)23-17(24)26-20(5,21(23,6)25)16-10-13-7-8-14(16)9-13/h7-8,13-16,22,25H,9-12H2,1-6H3/t13-,14-,16+,20+,21-/m0/s1
InChIKeySDQQXVQAAOQUIZ-VGTPPEPASA-N
XLogP3.43
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-3-cyclopropyl-4-hydroxy-4,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 674436
1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrole-2,5-dione;1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-dione
CID 161015472
6-(2-bicyclo[2.2.1]hept-5-enyl)-2-hydroxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one
CID 139935154
(4R)-4-hydroxy-3,4,7,7,9,9-hexamethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 674434
1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-2,6-dione
CID 11615794
2-(2-bicyclo[2.2.1]hept-5-enyl)-4,4,5,5-tetramethyl-1,3,2λ5-dioxaphospholane 2-oxide
CID 10083727
1-(2-bicyclo[2.2.1]hept-5-enyl)pyrrole-2,5-dione
CID 22323214
5-methylbicyclo[2.2.1]hept-2-ene;2-methylprop-2-enal;1-methylpyrrole-2,5-dione;prop-1-ene
CID 158447084
6-methylidene-5-(2,2,6,6-tetramethylpiperidin-4-yl)imino-1,2,4-triazin-3-one
CID 138059223
dimethyl-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]silane
CID 579977
[4-(2-bicyclo[2.2.1]hept-5-enyl)-3,3-difluoro-2-(trifluoromethyl)oxolan-2-yl] 2,2-dimethylpropanoate
CID 59310356
2-[[(1S,5R)-8-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl]methyl]-6-methylpyridazin-3-one
CID 125037325

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-4-hydroxy-4,5-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-4-hydroxy-4,5-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazolidin-2-one (CID 98056495) is (4S,5R)-5-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-4-hydroxy-4,5-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-4-hydroxy-4,5-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-4-hydroxy-4,5-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazolidin-2-one is CC1(C)CC(N2C(=O)O[C@](C)([C@@H]3C[C@H]4C=C[C@H]3C4)[C@]2(C)O)CC(C)(C)N1.
What is the InChIKey of (4S,5R)-5-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-4-hydroxy-4,5-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazolidin-2-one?
The InChIKey is SDQQXVQAAOQUIZ-VGTPPEPASA-N. The full InChI is InChI=1S/C21H34N2O3/c1-18(2)11-15(12-19(3,4)22-18)23-17(24)26-20(5,21(23,6)25)16-10-13-7-8-14(16)9-13/h7-8,13-16,22,25H,9-12H2,1-6H3/t13-,14-,16+,20+,21-/m0/s1.
What are the key properties of (4S,5R)-5-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-4-hydroxy-4,5-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazolidin-2-one?
(4S,5R)-5-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-4-hydroxy-4,5-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazolidin-2-one has a molecular weight of 362.51 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-4-hydroxy-4,5-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 98056495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).