[(3R,5R)-3-anthracen-9-yl-2-benzyl-1,2-oxazolidin-5-yl]methanol

C25H23NO2 — CID 11653566

IUPAC[(3R,5R)-3-anthracen-9-yl-2-benzyl-1,2-oxazolidin-5-yl]methanol
SMILESOC[C@H]1C[C@H](c2c3ccccc3cc3ccccc23)N(Cc2ccccc2)O1
InChIInChI=1S/C25H23NO2/c27-17-21-15-24(26(28-21)16-18-8-2-1-3-9-18)25-22-12-6-4-10-19(22)14-20-11-5-7-13-23(20)25/h1-14,21,24,27H,15-17H2/t21-,24-/m1/s1
InChIKeyMSTYJZCYVYXJAT-ZJSXRUAMSA-N
MW369.46 g/mol
LogP5.23
Rot. Bonds4

About [(3R,5R)-3-anthracen-9-yl-2-benzyl-1,2-oxazolidin-5-yl]methanol

[(3R,5R)-3-anthracen-9-yl-2-benzyl-1,2-oxazolidin-5-yl]methanol (PubChem CID 11653566) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is [(3R,5R)-3-anthracen-9-yl-2-benzyl-1,2-oxazolidin-5-yl]methanol.

Molecular Properties

Compound Name[(3R,5R)-3-anthracen-9-yl-2-benzyl-1,2-oxazolidin-5-yl]methanol
PubChem CID11653566
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name[(3R,5R)-3-anthracen-9-yl-2-benzyl-1,2-oxazolidin-5-yl]methanol
SMILESOC[C@H]1C[C@H](c2c3ccccc3cc3ccccc23)N(Cc2ccccc2)O1
InChIInChI=1S/C25H23NO2/c27-17-21-15-24(26(28-21)16-18-8-2-1-3-9-18)25-22-12-6-4-10-19(22)14-20-11-5-7-13-23(20)25/h1-14,21,24,27H,15-17H2/t21-,24-/m1/s1
InChIKeyMSTYJZCYVYXJAT-ZJSXRUAMSA-N
XLogP5.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

methyl (3R,5S)-3-anthracen-9-yl-2-benzyl-1,2-oxazolidine-5-carboxylate
CID 11610966
(3R,5R)-2-benzyl-5-hexyl-3-phenyl-1,2-oxazolidine
CID 11034663
2-benzyl-3-phenyl-3H-benzo[f][1,2]benzoxazole
CID 102168962
(3R,3aR,6aR)-3-anthracen-9-yl-5-benzyl-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 124768115
1-[(3R,5S)-2-benzyl-3-naphthalen-1-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione
CID 78319332
(2S)-2-anthracen-9-yloxirane
CID 102063166
[(2R,5R)-4-benzyl-5-ethylmorpholin-2-yl]methanol
CID 146573821
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
[(2S,6S)-4-benzyl-6-cyclopropylmorpholin-2-yl]methanol
CID 139343303
[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
CID 124512761
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
[4-benzyl-6-(trifluoromethyl)morpholin-2-yl]methanol
CID 171374338

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3-anthracen-9-yl-2-benzyl-1,2-oxazolidin-5-yl]methanol?
The IUPAC name of [(3R,5R)-3-anthracen-9-yl-2-benzyl-1,2-oxazolidin-5-yl]methanol (CID 11653566) is [(3R,5R)-3-anthracen-9-yl-2-benzyl-1,2-oxazolidin-5-yl]methanol.
What is the SMILES notation for [(3R,5R)-3-anthracen-9-yl-2-benzyl-1,2-oxazolidin-5-yl]methanol?
The canonical SMILES for [(3R,5R)-3-anthracen-9-yl-2-benzyl-1,2-oxazolidin-5-yl]methanol is OC[C@H]1C[C@H](c2c3ccccc3cc3ccccc23)N(Cc2ccccc2)O1.
What is the InChIKey of [(3R,5R)-3-anthracen-9-yl-2-benzyl-1,2-oxazolidin-5-yl]methanol?
The InChIKey is MSTYJZCYVYXJAT-ZJSXRUAMSA-N. The full InChI is InChI=1S/C25H23NO2/c27-17-21-15-24(26(28-21)16-18-8-2-1-3-9-18)25-22-12-6-4-10-19(22)14-20-11-5-7-13-23(20)25/h1-14,21,24,27H,15-17H2/t21-,24-/m1/s1.
What are the key properties of [(3R,5R)-3-anthracen-9-yl-2-benzyl-1,2-oxazolidin-5-yl]methanol?
[(3R,5R)-3-anthracen-9-yl-2-benzyl-1,2-oxazolidin-5-yl]methanol has a molecular weight of 369.46 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3-anthracen-9-yl-2-benzyl-1,2-oxazolidin-5-yl]methanol is sourced from PubChem (CID 11653566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).