1-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol

C14H16BrN3O2 — CID 47473957

IUPAC1-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2nnc(-c3cccc(Br)c3)o2)C1
InChIInChI=1S/C14H16BrN3O2/c15-11-4-1-3-10(7-11)14-17-16-13(20-14)9-18-6-2-5-12(19)8-18/h1,3-4,7,12,19H,2,5-6,8-9H2
InChIKeyUUANPNFAOKQOOO-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.46
Rot. Bonds3

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

1-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol (PubChem CID 47473957) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.20 g/mol. Its IUPAC name is 1-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
PubChem CID47473957
Molecular FormulaC14H16BrN3O2
Molecular Weight338.20 g/mol
Exact Mass337.04
IUPAC Name1-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2nnc(-c3cccc(Br)c3)o2)C1
InChIInChI=1S/C14H16BrN3O2/c15-11-4-1-3-10(7-11)14-17-16-13(20-14)9-18-6-2-5-12(19)8-18/h1,3-4,7,12,19H,2,5-6,8-9H2
InChIKeyUUANPNFAOKQOOO-UHFFFAOYSA-N
XLogP2.46
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol 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-ol
CID 60669557
2-(azepan-1-ylmethyl)-5-(3-bromophenyl)-1,3,4-oxadiazole;hydrochloride
CID 126460668
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]piperidin-3-ol
CID 60669569
1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 60689688
4-methyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 103898257
[1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
CID 60670195
(3R)-1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 78963343
2-(3-methoxyphenyl)-5-[(3-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 110652797
(6S)-1-cyclopentyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-6-ol
CID 99973552
(3R)-1-[[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 169101326
4-methyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol
CID 103898404

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol (CID 47473957) is 1-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol is OC1CCCN(Cc2nnc(-c3cccc(Br)c3)o2)C1.
What is the InChIKey of 1-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol?
The InChIKey is UUANPNFAOKQOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c15-11-4-1-3-10(7-11)14-17-16-13(20-14)9-18-6-2-5-12(19)8-18/h1,3-4,7,12,19H,2,5-6,8-9H2.
What are the key properties of 1-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol?
1-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol has a molecular weight of 338.20 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 47473957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).