(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol

C13H15N3O2 — CID 78963265

IUPAC(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(Cc2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C13H15N3O2/c17-11-6-7-16(8-11)9-12-14-13(18-15-12)10-4-2-1-3-5-10/h1-5,11,17H,6-9H2/t11-/m1/s1
InChIKeyVVBKRPOXIIPIJF-LLVKDONJSA-N
MW245.28 g/mol
LogP1.30
Rot. Bonds3

About (3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol

(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol (PubChem CID 78963265) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol
PubChem CID78963265
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(Cc2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C13H15N3O2/c17-11-6-7-16(8-11)9-12-14-13(18-15-12)10-4-2-1-3-5-10/h1-5,11,17H,6-9H2/t11-/m1/s1
InChIKeyVVBKRPOXIIPIJF-LLVKDONJSA-N
XLogP1.30
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol
CID 78963885
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 62068171
(3R)-1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol
CID 111334093
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63032406
1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethane-1,2-diol
CID 137340212
N-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 62545982
[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915596
3,3-dimethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine
CID 120774254
2-chloro-N-[(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide
CID 98042268
1-benzyl-3-[(3S)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]urea
CID 98042276
(3R)-1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 63365319
(2S)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95277519

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol (CID 78963265) is (3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol is O[C@@H]1CCN(Cc2noc(-c3ccccc3)n2)C1.
What is the InChIKey of (3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol?
The InChIKey is VVBKRPOXIIPIJF-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-11-6-7-16(8-11)9-12-14-13(18-15-12)10-4-2-1-3-5-10/h1-5,11,17H,6-9H2/t11-/m1/s1.
What are the key properties of (3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol?
(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol has a molecular weight of 245.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 78963265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).