3-[5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazol-2-yl]phenol

C17H20N6O2 — CID 53320688

IUPAC3-[5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazol-2-yl]phenol
SMILESCCN1CCC(n2cc(-c3nnc(-c4cccc(O)c4)o3)nn2)CC1
InChIInChI=1S/C17H20N6O2/c1-2-22-8-6-13(7-9-22)23-11-15(18-21-23)17-20-19-16(25-17)12-4-3-5-14(24)10-12/h3-5,10-11,13,24H,2,6-9H2,1H3
InChIKeyGHIYHURSNOFAAQ-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.36
Rot. Bonds4

About 3-[5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazol-2-yl]phenol

3-[5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 53320688) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-[5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name3-[5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazol-2-yl]phenol
PubChem CID53320688
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name3-[5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazol-2-yl]phenol
SMILESCCN1CCC(n2cc(-c3nnc(-c4cccc(O)c4)o3)nn2)CC1
InChIInChI=1S/C17H20N6O2/c1-2-22-8-6-13(7-9-22)23-11-15(18-21-23)17-20-19-16(25-17)12-4-3-5-14(24)10-12/h3-5,10-11,13,24H,2,6-9H2,1H3
InChIKeyGHIYHURSNOFAAQ-UHFFFAOYSA-N
XLogP2.36
TPSA93.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
2-(3-Chlorophenyl)-5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole
CID 53321507
[4-[4-[5-(3-Methylphenyl)-1,3,4-oxadiazol-2-yl]triazol-1-yl]piperidin-1-yl]-phenylmethanone
CID 53321982
2-[1-(1-Ethylpiperidin-4-yl)triazol-4-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 53322833
2-[1-(1-Methylsulfonyl-4-piperidyl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 53323340
1-[4-[4-[5-(3-Methylphenyl)-1,3,4-oxadiazol-2-yl]triazol-1-yl]piperidin-1-yl]ethanone
CID 53323341

Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 3-[5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazol-2-yl]phenol (CID 53320688) is 3-[5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 3-[5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 3-[5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazol-2-yl]phenol is CCN1CCC(n2cc(-c3nnc(-c4cccc(O)c4)o3)nn2)CC1.
What is the InChIKey of 3-[5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is GHIYHURSNOFAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-2-22-8-6-13(7-9-22)23-11-15(18-21-23)17-20-19-16(25-17)12-4-3-5-14(24)10-12/h3-5,10-11,13,24H,2,6-9H2,1H3.
What are the key properties of 3-[5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazol-2-yl]phenol?
3-[5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 340.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 53320688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).