[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol

C13H16BrN3O3 — CID 60670196

IUPAC[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2nnc(-c3ccc(Br)o3)o2)C1
InChIInChI=1S/C13H16BrN3O3/c14-11-4-3-10(19-11)13-16-15-12(20-13)7-17-5-1-2-9(6-17)8-18/h3-4,9,18H,1-2,5-8H2
InChIKeyQIGJHCWZVSLVHM-UHFFFAOYSA-N
MW342.19 g/mol
LogP2.30
Rot. Bonds4

About [1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol

[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol (PubChem CID 60670196) has the molecular formula C13H16BrN3O3 and a molecular weight of 342.19 g/mol. Its IUPAC name is [1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
PubChem CID60670196
Molecular FormulaC13H16BrN3O3
Molecular Weight342.19 g/mol
Exact Mass341.04
IUPAC Name[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2nnc(-c3ccc(Br)o3)o2)C1
InChIInChI=1S/C13H16BrN3O3/c14-11-4-3-10(19-11)13-16-15-12(20-13)7-17-5-1-2-9(6-17)8-18/h3-4,9,18H,1-2,5-8H2
InChIKeyQIGJHCWZVSLVHM-UHFFFAOYSA-N
XLogP2.30
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol 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

[1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
CID 60670195
[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
CID 60642415
2-(5-bromofuran-2-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 104975633
1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 43441609
[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961309
[(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol
CID 94407935
[1-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-3-yl]methanol
CID 60642590
2-(4-bromophenyl)-5-[[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 97236232
1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 60669557
[1-(1,3-benzoxazol-2-ylmethyl)piperidin-3-yl]methanol
CID 60670163
1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 60689688
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 60669569

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol (CID 60670196) is [1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol is OCC1CCCN(Cc2nnc(-c3ccc(Br)o3)o2)C1.
What is the InChIKey of [1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol?
The InChIKey is QIGJHCWZVSLVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3/c14-11-4-3-10(19-11)13-16-15-12(20-13)7-17-5-1-2-9(6-17)8-18/h3-4,9,18H,1-2,5-8H2.
What are the key properties of [1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol?
[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol has a molecular weight of 342.19 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 60670196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).