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

C13H14BrN3O — CID 82045304

IUPAC2-(3-bromophenyl)-5-piperidin-3-yl-1,3,4-oxadiazole
SMILESBrc1cccc(-c2nnc(C3CCCNC3)o2)c1
InChIInChI=1S/C13H14BrN3O/c14-11-5-1-3-9(7-11)12-16-17-13(18-12)10-4-2-6-15-8-10/h1,3,5,7,10,15H,2,4,6,8H2
InChIKeyGMQSWJSTYIDYKX-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.97
Rot. Bonds2

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

2-(3-bromophenyl)-5-piperidin-3-yl-1,3,4-oxadiazole (PubChem CID 82045304) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-piperidin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-piperidin-3-yl-1,3,4-oxadiazole
PubChem CID82045304
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name2-(3-bromophenyl)-5-piperidin-3-yl-1,3,4-oxadiazole
SMILESBrc1cccc(-c2nnc(C3CCCNC3)o2)c1
InChIInChI=1S/C13H14BrN3O/c14-11-5-1-3-9(7-11)12-16-17-13(18-12)10-4-2-6-15-8-10/h1,3,5,7,10,15H,2,4,6,8H2
InChIKeyGMQSWJSTYIDYKX-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

2-(4-methylphenyl)-5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole
CID 39347689
5-(3-bromophenyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 84715623
3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651037
2-(2-methoxyphenyl)-5-piperidin-3-yl-1,3,4-oxadiazole
CID 82044862
3-[5-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine
CID 84604162
2-cyclopentyl-5-phenyl-1,3,4-oxadiazole
CID 83382259
2-(3-bromo-5-methylphenyl)-5-cyclohexyl-1,3,4-oxadiazole
CID 104851677
5-(3-bromophenyl)-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 79432183
2-(3-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
CID 22308678
N-(3-bromophenyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 5168956
(3R)-3-(4-bromo-2-chlorophenyl)piperidine
CID 130852856
2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole
CID 155225995

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-piperidin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bromophenyl)-5-piperidin-3-yl-1,3,4-oxadiazole (CID 82045304) is 2-(3-bromophenyl)-5-piperidin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bromophenyl)-5-piperidin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bromophenyl)-5-piperidin-3-yl-1,3,4-oxadiazole is Brc1cccc(-c2nnc(C3CCCNC3)o2)c1.
What is the InChIKey of 2-(3-bromophenyl)-5-piperidin-3-yl-1,3,4-oxadiazole?
The InChIKey is GMQSWJSTYIDYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c14-11-5-1-3-9(7-11)12-16-17-13(18-12)10-4-2-6-15-8-10/h1,3,5,7,10,15H,2,4,6,8H2.
What are the key properties of 2-(3-bromophenyl)-5-piperidin-3-yl-1,3,4-oxadiazole?
2-(3-bromophenyl)-5-piperidin-3-yl-1,3,4-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 2-(3-bromophenyl)-5-piperidin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 82045304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).