(3R,5S)-1-benzyl-5-[(5R)-2-benzyl-1,2-oxazolidin-5-yl]pyrrolidin-3-ol

C21H26N2O2 — CID 139743860

IUPAC(3R,5S)-1-benzyl-5-[(5R)-2-benzyl-1,2-oxazolidin-5-yl]pyrrolidin-3-ol
SMILESO[C@@H]1C[C@@H]([C@H]2CCN(Cc3ccccc3)O2)N(Cc2ccccc2)C1
InChIInChI=1S/C21H26N2O2/c24-19-13-20(22(16-19)14-17-7-3-1-4-8-17)21-11-12-23(25-21)15-18-9-5-2-6-10-18/h1-10,19-21,24H,11-16H2/t19-,20+,21-/m1/s1
InChIKeyZSEWQWNTXSXOTI-QHAWAJNXSA-N
MW338.45 g/mol
LogP2.83
Rot. Bonds5

About (3R,5S)-1-benzyl-5-[(5R)-2-benzyl-1,2-oxazolidin-5-yl]pyrrolidin-3-ol

(3R,5S)-1-benzyl-5-[(5R)-2-benzyl-1,2-oxazolidin-5-yl]pyrrolidin-3-ol (PubChem CID 139743860) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (3R,5S)-1-benzyl-5-[(5R)-2-benzyl-1,2-oxazolidin-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-1-benzyl-5-[(5R)-2-benzyl-1,2-oxazolidin-5-yl]pyrrolidin-3-ol
PubChem CID139743860
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(3R,5S)-1-benzyl-5-[(5R)-2-benzyl-1,2-oxazolidin-5-yl]pyrrolidin-3-ol
SMILESO[C@@H]1C[C@@H]([C@H]2CCN(Cc3ccccc3)O2)N(Cc2ccccc2)C1
InChIInChI=1S/C21H26N2O2/c24-19-13-20(22(16-19)14-17-7-3-1-4-8-17)21-11-12-23(25-21)15-18-9-5-2-6-10-18/h1-10,19-21,24H,11-16H2/t19-,20+,21-/m1/s1
InChIKeyZSEWQWNTXSXOTI-QHAWAJNXSA-N
XLogP2.83
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,5S)-1-benzyl-5-[(5R)-2-benzyl-1,2-oxazolidin-5-yl]pyrrolidin-3-ol with MolForge

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Related Compounds

(3R,5S)-1-benzyl-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-ol
CID 11792818
6-benzyl-6-azabicyclo[3.2.1]octan-4-ol
CID 57485770
(1R,4S,6S)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol
CID 15669538
(3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol
CID 14117026
(3R,5R)-1-benzyl-5-(1-hydroxy-1-phenylpropyl)pyrrolidin-3-ol
CID 10638793
1,6-dibenzyl-3-hydroxy-2,3,4,4a,5,7a-hexahydropyrrolo[3,4-b]pyridin-7-one
CID 134363462
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
[(2S,4R)-1-benzyl-2-cyclopropylpiperidin-4-yl]methanol
CID 176706114
1,2-dibenzylpyrazolidin-4-ol
CID 12543345
(3R,5S)-1-benzyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrrolidin-3-ol
CID 97078882
1-benzyl-5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrrolidin-3-ol
CID 86786895
(6R,6aS)-4-benzyl-6-hydroxy-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one
CID 134859484

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-benzyl-5-[(5R)-2-benzyl-1,2-oxazolidin-5-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-1-benzyl-5-[(5R)-2-benzyl-1,2-oxazolidin-5-yl]pyrrolidin-3-ol (CID 139743860) is (3R,5S)-1-benzyl-5-[(5R)-2-benzyl-1,2-oxazolidin-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-1-benzyl-5-[(5R)-2-benzyl-1,2-oxazolidin-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-1-benzyl-5-[(5R)-2-benzyl-1,2-oxazolidin-5-yl]pyrrolidin-3-ol is O[C@@H]1C[C@@H]([C@H]2CCN(Cc3ccccc3)O2)N(Cc2ccccc2)C1.
What is the InChIKey of (3R,5S)-1-benzyl-5-[(5R)-2-benzyl-1,2-oxazolidin-5-yl]pyrrolidin-3-ol?
The InChIKey is ZSEWQWNTXSXOTI-QHAWAJNXSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-19-13-20(22(16-19)14-17-7-3-1-4-8-17)21-11-12-23(25-21)15-18-9-5-2-6-10-18/h1-10,19-21,24H,11-16H2/t19-,20+,21-/m1/s1.
What are the key properties of (3R,5S)-1-benzyl-5-[(5R)-2-benzyl-1,2-oxazolidin-5-yl]pyrrolidin-3-ol?
(3R,5S)-1-benzyl-5-[(5R)-2-benzyl-1,2-oxazolidin-5-yl]pyrrolidin-3-ol has a molecular weight of 338.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-benzyl-5-[(5R)-2-benzyl-1,2-oxazolidin-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 139743860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).