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

C17H19ClN6O — CID 53321507

IUPAC2-(3-chlorophenyl)-5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole
SMILESCCN1CCC(n2cc(-c3nnc(-c4cccc(Cl)c4)o3)nn2)CC1
InChIInChI=1S/C17H19ClN6O/c1-2-23-8-6-14(7-9-23)24-11-15(19-22-24)17-21-20-16(25-17)12-4-3-5-13(18)10-12/h3-5,10-11,14H,2,6-9H2,1H3
InChIKeyUVSUBSUQJCSROL-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.31
Rot. Bonds4

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

2-(3-chlorophenyl)-5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole (PubChem CID 53321507) has the molecular formula C17H19ClN6O and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole
PubChem CID53321507
Molecular FormulaC17H19ClN6O
Molecular Weight358.83 g/mol
Exact Mass358.13
IUPAC Name2-(3-chlorophenyl)-5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole
SMILESCCN1CCC(n2cc(-c3nnc(-c4cccc(Cl)c4)o3)nn2)CC1
InChIInChI=1S/C17H19ClN6O/c1-2-23-8-6-14(7-9-23)24-11-15(19-22-24)17-21-20-16(25-17)12-4-3-5-13(18)10-12/h3-5,10-11,14H,2,6-9H2,1H3
InChIKeyUVSUBSUQJCSROL-UHFFFAOYSA-N
XLogP3.31
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazol-2-yl]phenol
CID 53320688
2-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 53318034
4-[4-(3-chlorophenyl)triazol-1-yl]-1-(thian-4-yl)piperidine
CID 46994273
2-(3-chlorophenyl)-5-(1-ethylpyrazol-4-yl)-1,3,4-oxadiazole
CID 4776587
1-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]triazol-1-yl]piperidin-1-yl]ethanone
CID 71589663
[4-[4-(3-chlorophenyl)triazol-1-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 167937168
2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
CID 43913168
(3-chlorophenyl)-[(3R)-3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 99757649
(3-chlorophenyl)-[(3S)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 99757574
2-(3-chlorophenyl)-1-[(3R)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]ethanone
CID 99757607
3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 22060846
(3-chlorophenyl)-[3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91908565

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chlorophenyl)-5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole (CID 53321507) is 2-(3-chlorophenyl)-5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chlorophenyl)-5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chlorophenyl)-5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole is CCN1CCC(n2cc(-c3nnc(-c4cccc(Cl)c4)o3)nn2)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole?
The InChIKey is UVSUBSUQJCSROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O/c1-2-23-8-6-14(7-9-23)24-11-15(19-22-24)17-21-20-16(25-17)12-4-3-5-13(18)10-12/h3-5,10-11,14H,2,6-9H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole?
2-(3-chlorophenyl)-5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole has a molecular weight of 358.83 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 53321507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).