2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole

C18H22N6O2 — CID 53322833

IUPAC2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
SMILESCCN1CCC(n2cc(-c3nnc(-c4cccc(OC)c4)o3)nn2)CC1
InChIInChI=1S/C18H22N6O2/c1-3-23-9-7-14(8-10-23)24-12-16(19-22-24)18-21-20-17(26-18)13-5-4-6-15(11-13)25-2/h4-6,11-12,14H,3,7-10H2,1-2H3
InChIKeyDBQHGWPHPUINOK-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.66
Rot. Bonds5

About 2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole

2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 53322833) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID53322833
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
SMILESCCN1CCC(n2cc(-c3nnc(-c4cccc(OC)c4)o3)nn2)CC1
InChIInChI=1S/C18H22N6O2/c1-3-23-9-7-14(8-10-23)24-12-16(19-22-24)18-21-20-17(26-18)13-5-4-6-15(11-13)25-2/h4-6,11-12,14H,3,7-10H2,1-2H3
InChIKeyDBQHGWPHPUINOK-UHFFFAOYSA-N
XLogP2.66
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-(3-methoxyphenyl)-1,3,4-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

N-ethyl-N-{[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-(1H-pyrazol-1-yl)ethanamine
CID 16187226
2-(Difluoromethyl)-5-[4-[[4-(2-methoxyphenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722490
N-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
CID 42212671
2-[4-[[1-[(3-Methoxyphenyl)methyl]triazol-4-yl]methoxy]phenyl]-5-methyl-1,3,4-oxadiazole
CID 155549609
Tert-butyl 4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)triazol-1-yl]piperidine-1-carboxylate
CID 51050405
2-[1-(1-Methyl-4-piperidyl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 53318034
2-[1-(1-Ethyl-4-piperidyl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 53318035
Phenyl-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)triazol-1-yl]-1-piperidyl]methanone
CID 53318036
2-Phenyl-5-[1-(4-piperidyl)triazol-4-yl]-1,3,4-oxadiazole
CID 53319382
3-[5-[1-(1-Methylsulfonylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazol-2-yl]phenol
CID 53319383
2-(3-Chlorophenyl)-5-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole
CID 53320687
3-[5-[1-(1-Ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazol-2-yl]phenol
CID 53320688

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole (CID 53322833) is 2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole is CCN1CCC(n2cc(-c3nnc(-c4cccc(OC)c4)o3)nn2)CC1.
What is the InChIKey of 2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is DBQHGWPHPUINOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-3-23-9-7-14(8-10-23)24-12-16(19-22-24)18-21-20-17(26-18)13-5-4-6-15(11-13)25-2/h4-6,11-12,14H,3,7-10H2,1-2H3.
What are the key properties of 2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole?
2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 354.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 53322833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).