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

C13H14BrN3O2 — CID 106743309

IUPAC3-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESOC1(c2nc(Cc3cccc(Br)c3)no2)CCNC1
InChIInChI=1S/C13H14BrN3O2/c14-10-3-1-2-9(6-10)7-11-16-12(19-17-11)13(18)4-5-15-8-13/h1-3,6,15,18H,4-5,7-8H2
InChIKeyMVGLJHIXLSBABA-UHFFFAOYSA-N
MW324.18 g/mol
LogP1.60
Rot. Bonds3

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

3-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 106743309) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 3-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID106743309
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name3-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESOC1(c2nc(Cc3cccc(Br)c3)no2)CCNC1
InChIInChI=1S/C13H14BrN3O2/c14-10-3-1-2-9(6-10)7-11-16-12(19-17-11)13(18)4-5-15-8-13/h1-3,6,15,18H,4-5,7-8H2
InChIKeyMVGLJHIXLSBABA-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-bromophenyl)methyl]-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63138181
3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743289
3-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950179
4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950128
1-[[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 64672428
3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743346
3-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743507
3-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
CID 63346227
3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743499
4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950155
4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950055
5-(4-ethylpiperidin-4-yl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 63125817

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 3-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 106743309) is 3-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is OC1(c2nc(Cc3cccc(Br)c3)no2)CCNC1.
What is the InChIKey of 3-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is MVGLJHIXLSBABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c14-10-3-1-2-9(6-10)7-11-16-12(19-17-11)13(18)4-5-15-8-13/h1-3,6,15,18H,4-5,7-8H2.
What are the key properties of 3-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
3-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 324.18 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 106743309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).