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

C14H16BrN3O2 — CID 63870917

IUPAC3-(3-bromophenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
SMILESBrc1cccc(-c2noc(COC3CCNCC3)n2)c1
InChIInChI=1S/C14H16BrN3O2/c15-11-3-1-2-10(8-11)14-17-13(20-18-14)9-19-12-4-6-16-7-5-12/h1-3,8,12,16H,4-7,9H2
InChIKeyPNIISSTURSPEPZ-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.77
Rot. Bonds4

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

3-(3-bromophenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole (PubChem CID 63870917) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.20 g/mol. Its IUPAC name is 3-(3-bromophenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-bromophenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
PubChem CID63870917
Molecular FormulaC14H16BrN3O2
Molecular Weight338.20 g/mol
Exact Mass337.04
IUPAC Name3-(3-bromophenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
SMILESBrc1cccc(-c2noc(COC3CCNCC3)n2)c1
InChIInChI=1S/C14H16BrN3O2/c15-11-3-1-2-10(8-11)14-17-13(20-18-14)9-19-12-4-6-16-7-5-12/h1-3,8,12,16H,4-7,9H2
InChIKeyPNIISSTURSPEPZ-UHFFFAOYSA-N
XLogP2.77
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-bromophenyl)-5-(piperidin-4-yloxymethyl)-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

ethane;3-(3-ethyl-4-methylsulfinylphenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
CID 143388136
3-(3-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 28805674
3-(3-bromophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655372
3-(2-methoxypyrimidin-5-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
CID 66743433
2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 79463985
3-(3-bromophenyl)-5-(iodomethyl)-1,2,4-oxadiazole
CID 64787760
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl cyclohex-3-ene-1-carboxylate
CID 46608364
3-(4-fluoro-2-methylphenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
CID 81261780
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl adamantane-2-carboxylate
CID 9339321
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-3-(3-bromophenyl)-1,2,4-oxadiazole
CID 60916558
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 21175092
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3,4-diol
CID 106672017

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-bromophenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole (CID 63870917) is 3-(3-bromophenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-bromophenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-bromophenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole is Brc1cccc(-c2noc(COC3CCNCC3)n2)c1.
What is the InChIKey of 3-(3-bromophenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole?
The InChIKey is PNIISSTURSPEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c15-11-3-1-2-10(8-11)14-17-13(20-18-14)9-19-12-4-6-16-7-5-12/h1-3,8,12,16H,4-7,9H2.
What are the key properties of 3-(3-bromophenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole?
3-(3-bromophenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole has a molecular weight of 338.20 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63870917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).