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

C15H18BrN3O2 — CID 115966853

IUPAC1-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2nc(-c3cccc(Br)c3)no2)C1
InChIInChI=1S/C15H18BrN3O2/c1-10(20)12-5-6-19(8-12)9-14-17-15(18-21-14)11-3-2-4-13(16)7-11/h2-4,7,10,12,20H,5-6,8-9H2,1H3
InChIKeyLMJRCBLQWNYJBJ-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.70
Rot. Bonds4

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

1-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol (PubChem CID 115966853) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 1-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol
PubChem CID115966853
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name1-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2nc(-c3cccc(Br)c3)no2)C1
InChIInChI=1S/C15H18BrN3O2/c1-10(20)12-5-6-19(8-12)9-14-17-15(18-21-14)11-3-2-4-13(16)7-11/h2-4,7,10,12,20H,5-6,8-9H2,1H3
InChIKeyLMJRCBLQWNYJBJ-UHFFFAOYSA-N
XLogP2.70
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(3R)-1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 78963343
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3,4-diol
CID 106672017
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-tert-butylpiperidine-4-carboxamide
CID 38145803
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-3-(3-bromophenyl)-1,2,4-oxadiazole
CID 60916558
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 38145900
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 43932387
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43927312
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43932760
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 38146004
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperidin-3-ol
CID 115874173
1-[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol
CID 110020364
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 43932597

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol (CID 115966853) is 1-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(Cc2nc(-c3cccc(Br)c3)no2)C1.
What is the InChIKey of 1-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is LMJRCBLQWNYJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-10(20)12-5-6-19(8-12)9-14-17-15(18-21-14)11-3-2-4-13(16)7-11/h2-4,7,10,12,20H,5-6,8-9H2,1H3.
What are the key properties of 1-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol?
1-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 352.23 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115966853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).