3-(3,5-dibromo-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole

C12H12Br2N4O — CID 104912043

IUPAC3-(3,5-dibromo-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESBrc1cnc(-c2noc([C@@H]3CCCNC3)n2)c(Br)c1
InChIInChI=1S/C12H12Br2N4O/c13-8-4-9(14)10(16-6-8)11-17-12(19-18-11)7-2-1-3-15-5-7/h4,6-7,15H,1-3,5H2/t7-/m1/s1
InChIKeyACMVXKAJXNAVKS-SSDOTTSWSA-N
MW388.06 g/mol
LogP3.12
Rot. Bonds2

About 3-(3,5-dibromo-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole

3-(3,5-dibromo-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 104912043) has the molecular formula C12H12Br2N4O and a molecular weight of 388.06 g/mol. Its IUPAC name is 3-(3,5-dibromo-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,5-dibromo-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID104912043
Molecular FormulaC12H12Br2N4O
Molecular Weight388.06 g/mol
Exact Mass385.94
IUPAC Name3-(3,5-dibromo-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESBrc1cnc(-c2noc([C@@H]3CCCNC3)n2)c(Br)c1
InChIInChI=1S/C12H12Br2N4O/c13-8-4-9(14)10(16-6-8)11-17-12(19-18-11)7-2-1-3-15-5-7/h4,6-7,15H,1-3,5H2/t7-/m1/s1
InChIKeyACMVXKAJXNAVKS-SSDOTTSWSA-N
XLogP3.12
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.06
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-dibromo-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-fluoro-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911952
3-(3,5-dibromo-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424999
3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 68926446
3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 113329250
3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 29039427
5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
CID 66618635
3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 68927912
3-(5-chlorofuran-2-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115080752
5-[1-(azetidin-3-yl)ethyl]-3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazole
CID 116682642
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 52951031
3-(4-methyl-3-pyridinyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104982341

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dibromo-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3,5-dibromo-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole (CID 104912043) is 3-(3,5-dibromo-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,5-dibromo-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,5-dibromo-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole is Brc1cnc(-c2noc([C@@H]3CCCNC3)n2)c(Br)c1.
What is the InChIKey of 3-(3,5-dibromo-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is ACMVXKAJXNAVKS-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H12Br2N4O/c13-8-4-9(14)10(16-6-8)11-17-12(19-18-11)7-2-1-3-15-5-7/h4,6-7,15H,1-3,5H2/t7-/m1/s1.
What are the key properties of 3-(3,5-dibromo-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
3-(3,5-dibromo-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 388.06 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dibromo-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104912043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).