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

C13H14BrN3O2 — CID 104911225

IUPAC(3R,5S)-5-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESO[C@H]1CN[C@H](c2nc(Cc3ccccc3Br)no2)C1
InChIInChI=1S/C13H14BrN3O2/c14-10-4-2-1-3-8(10)5-12-16-13(19-17-12)11-6-9(18)7-15-11/h1-4,9,11,15,18H,5-7H2/t9-,11+/m1/s1
InChIKeyVVFVEYBEOLARBQ-KOLCDFICSA-N
MW324.18 g/mol
LogP1.82
Rot. Bonds3

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

(3R,5S)-5-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 104911225) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is (3R,5S)-5-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID104911225
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name(3R,5S)-5-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESO[C@H]1CN[C@H](c2nc(Cc3ccccc3Br)no2)C1
InChIInChI=1S/C13H14BrN3O2/c14-10-4-2-1-3-8(10)5-12-16-13(19-17-12)11-6-9(18)7-15-11/h1-4,9,11,15,18H,5-7H2/t9-,11+/m1/s1
InChIKeyVVFVEYBEOLARBQ-KOLCDFICSA-N
XLogP1.82
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,5S)-5-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,5S)-5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911151
(3S,5S)-5-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912160
(3R,5R)-5-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912230
(5S)-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911204
(5S)-5-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911302
(3S,5S)-5-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912338
(3R,5S)-5-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911149
(3S,5R)-5-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104971482
(3S,5R)-5-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812750
(3S,5R)-5-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812778
5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 86276587
5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114351002

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 104911225) is (3R,5S)-5-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is O[C@H]1CN[C@H](c2nc(Cc3ccccc3Br)no2)C1.
What is the InChIKey of (3R,5S)-5-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is VVFVEYBEOLARBQ-KOLCDFICSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c14-10-4-2-1-3-8(10)5-12-16-13(19-17-12)11-6-9(18)7-15-11/h1-4,9,11,15,18H,5-7H2/t9-,11+/m1/s1.
What are the key properties of (3R,5S)-5-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
(3R,5S)-5-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 324.18 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 104911225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).