1-[1-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]ethanol

C18H24ClN3O2 — CID 111461981

IUPAC1-[1-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(C(C)c2nc(Cc3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C18H24ClN3O2/c1-12(22-9-7-15(8-10-22)13(2)23)18-20-17(21-24-18)11-14-3-5-16(19)6-4-14/h3-6,12-13,15,23H,7-11H2,1-2H3
InChIKeyWAJXBTGHJVATKD-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.47
Rot. Bonds5

About 1-[1-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]ethanol

1-[1-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]ethanol (PubChem CID 111461981) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 1-[1-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]ethanol
PubChem CID111461981
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name1-[1-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(C(C)c2nc(Cc3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C18H24ClN3O2/c1-12(22-9-7-15(8-10-22)13(2)23)18-20-17(21-24-18)11-14-3-5-16(19)6-4-14/h3-6,12-13,15,23H,7-11H2,1-2H3
InChIKeyWAJXBTGHJVATKD-UHFFFAOYSA-N
XLogP3.47
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]ethanol with MolForge

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Related Compounds

3-[(4-chlorophenyl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 167837913
1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 119904663
2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 55221994
[1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 94405866
[1-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 51080710
1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000693
3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347122
[1-[1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azepan-4-yl]urea
CID 167843276
5-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole
CID 75805432
[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 115288850
N-[(R)-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide
CID 129341672
1-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]ethanol
CID 115966872

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]ethanol (CID 111461981) is 1-[1-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]ethanol is CC(O)C1CCN(C(C)c2nc(Cc3ccc(Cl)cc3)no2)CC1.
What is the InChIKey of 1-[1-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]ethanol?
The InChIKey is WAJXBTGHJVATKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-12(22-9-7-15(8-10-22)13(2)23)18-20-17(21-24-18)11-14-3-5-16(19)6-4-14/h3-6,12-13,15,23H,7-11H2,1-2H3.
What are the key properties of 1-[1-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]ethanol?
1-[1-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]ethanol has a molecular weight of 349.86 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 111461981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).