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

C15H18BrN3O2 — CID 156787032

IUPAC1-[[3-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
SMILESCc1c(Br)cccc1-c1noc(CN2CCC(O)CC2)n1
InChIInChI=1S/C15H18BrN3O2/c1-10-12(3-2-4-13(10)16)15-17-14(21-18-15)9-19-7-5-11(20)6-8-19/h2-4,11,20H,5-9H2,1H3
InChIKeyCIYLKZNZULELET-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.76
Rot. Bonds3

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

1-[[3-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol (PubChem CID 156787032) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 1-[[3-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[3-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
PubChem CID156787032
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name1-[[3-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
SMILESCc1c(Br)cccc1-c1noc(CN2CCC(O)CC2)n1
InChIInChI=1S/C15H18BrN3O2/c1-10-12(3-2-4-13(10)16)15-17-14(21-18-15)9-19-7-5-11(20)6-8-19/h2-4,11,20H,5-9H2,1H3
InChIKeyCIYLKZNZULELET-UHFFFAOYSA-N
XLogP2.76
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[3-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol with MolForge

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Related Compounds

1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 78815383
(3R)-1-[[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 169101326
(3R)-1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 78963343
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 26518855
3-(3-bromo-2-methylphenyl)-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-oxadiazole
CID 156787044
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 38153459
3-(2-chlorophenyl)-5-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 137458185
N-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine
CID 81492893
4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol
CID 103897934
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60719354
1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 30898469
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol
CID 47028787

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[3-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol (CID 156787032) is 1-[[3-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[3-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[3-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol is Cc1c(Br)cccc1-c1noc(CN2CCC(O)CC2)n1.
What is the InChIKey of 1-[[3-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol?
The InChIKey is CIYLKZNZULELET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-10-12(3-2-4-13(10)16)15-17-14(21-18-15)9-19-7-5-11(20)6-8-19/h2-4,11,20H,5-9H2,1H3.
What are the key properties of 1-[[3-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol?
1-[[3-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol has a molecular weight of 352.23 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 156787032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).