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

C13H15BrClN3O — CID 86775464

IUPAC3-(2-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
SMILESBrc1ccccc1-c1noc(C2CCNCC2)n1.Cl
InChIInChI=1S/C13H14BrN3O.ClH/c14-11-4-2-1-3-10(11)12-16-13(18-17-12)9-5-7-15-8-6-9;/h1-4,9,15H,5-8H2;1H
InChIKeyNBLDBFDAPHDTFQ-UHFFFAOYSA-N
MW344.64 g/mol
LogP3.39
Rot. Bonds2

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

3-(2-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride (PubChem CID 86775464) has the molecular formula C13H15BrClN3O and a molecular weight of 344.64 g/mol. Its IUPAC name is 3-(2-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(2-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID86775464
Molecular FormulaC13H15BrClN3O
Molecular Weight344.64 g/mol
Exact Mass343.01
IUPAC Name3-(2-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
SMILESBrc1ccccc1-c1noc(C2CCNCC2)n1.Cl
InChIInChI=1S/C13H14BrN3O.ClH/c14-11-4-2-1-3-10(11)12-16-13(18-17-12)9-5-7-15-8-6-9;/h1-4,9,15H,5-8H2;1H
InChIKeyNBLDBFDAPHDTFQ-UHFFFAOYSA-N
XLogP3.39
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.64
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(2-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride (CID 86775464) is 3-(2-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(2-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(2-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride is Brc1ccccc1-c1noc(C2CCNCC2)n1.Cl.
What is the InChIKey of 3-(2-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is NBLDBFDAPHDTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O.ClH/c14-11-4-2-1-3-10(11)12-16-13(18-17-12)9-5-7-15-8-6-9;/h1-4,9,15H,5-8H2;1H.
What are the key properties of 3-(2-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride?
3-(2-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 344.64 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 86775464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).