3-(3-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole

C13H14BrN3O — CID 28805674

IUPAC3-(3-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESBrc1cccc(-c2noc(C3CCNCC3)n2)c1
InChIInChI=1S/C13H14BrN3O/c14-11-3-1-2-10(8-11)12-16-13(18-17-12)9-4-6-15-7-5-9/h1-3,8-9,15H,4-7H2
InChIKeyJFEDSVPQZUNHIO-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.97
Rot. Bonds2

About 3-(3-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole

3-(3-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 28805674) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-(3-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID28805674
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name3-(3-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESBrc1cccc(-c2noc(C3CCNCC3)n2)c1
InChIInChI=1S/C13H14BrN3O/c14-11-3-1-2-10(8-11)12-16-13(18-17-12)9-4-6-15-7-5-9/h1-3,8-9,15H,4-7H2
InChIKeyJFEDSVPQZUNHIO-UHFFFAOYSA-N
XLogP2.97
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 22248505
3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 28805640
5-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2778960
3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride
CID 119947825
3-(3-bromophenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
CID 63870917
N,N-dibenzyl-3-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)aniline
CID 58295833
2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
CID 63346258
3-(2,6-difluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 53417950
3-(4-fluoro-3-methylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 54933319
3-(4-chloro-3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 95733033
3-[3-[4-(2-isocyanatoethyl)phenyl]phenyl]-5-piperidin-4-yl-1,2,4-oxadiazole
CID 155066742
3-(3-methoxyphenyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63032530

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole (CID 28805674) is 3-(3-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole is Brc1cccc(-c2noc(C3CCNCC3)n2)c1.
What is the InChIKey of 3-(3-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is JFEDSVPQZUNHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c14-11-3-1-2-10(8-11)12-16-13(18-17-12)9-4-6-15-7-5-9/h1-3,8-9,15H,4-7H2.
What are the key properties of 3-(3-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
3-(3-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 308.18 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 28805674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).