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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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).