2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole

C20H20BrN3O — CID 46643063

IUPAC2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESBrc1ccccc1-c1nnc(CN2CCC(c3ccccc3)CC2)o1
InChIInChI=1S/C20H20BrN3O/c21-18-9-5-4-8-17(18)20-23-22-19(25-20)14-24-12-10-16(11-13-24)15-6-2-1-3-7-15/h1-9,16H,10-14H2
InChIKeyVCUWXJOHSPGFSP-UHFFFAOYSA-N
MW398.30 g/mol
LogP4.88
Rot. Bonds4

About 2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole

2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 46643063) has the molecular formula C20H20BrN3O and a molecular weight of 398.30 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID46643063
Molecular FormulaC20H20BrN3O
Molecular Weight398.30 g/mol
Exact Mass397.08
IUPAC Name2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESBrc1ccccc1-c1nnc(CN2CCC(c3ccccc3)CC2)o1
InChIInChI=1S/C20H20BrN3O/c21-18-9-5-4-8-17(18)20-23-22-19(25-20)14-24-12-10-16(11-13-24)15-6-2-1-3-7-15/h1-9,16H,10-14H2
InChIKeyVCUWXJOHSPGFSP-UHFFFAOYSA-N
XLogP4.88
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643022
N-[1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide
CID 33106508
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 60669569
2-(3-bromophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
CID 43913162
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43442068
2-(2-bromophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 65449579
1-[4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 30807595
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperidin-4-amine
CID 115313163
2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
CID 43913168
2-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 86773571
2-(2-bromophenyl)-5-[[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 30872121
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyloxolan-3-amine
CID 82725575

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole (CID 46643063) is 2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole is Brc1ccccc1-c1nnc(CN2CCC(c3ccccc3)CC2)o1.
What is the InChIKey of 2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is VCUWXJOHSPGFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O/c21-18-9-5-4-8-17(18)20-23-22-19(25-20)14-24-12-10-16(11-13-24)15-6-2-1-3-7-15/h1-9,16H,10-14H2.
What are the key properties of 2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 398.30 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 46643063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).