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

C16H17ClN6O — CID 53320687

IUPAC2-(3-chlorophenyl)-5-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole
SMILESCN1CCC(n2cc(-c3nnc(-c4cccc(Cl)c4)o3)nn2)CC1
InChIInChI=1S/C16H17ClN6O/c1-22-7-5-13(6-8-22)23-10-14(18-21-23)16-20-19-15(24-16)11-3-2-4-12(17)9-11/h2-4,9-10,13H,5-8H2,1H3
InChIKeyJTCSWWALAQHDEH-UHFFFAOYSA-N
MW344.81 g/mol
LogP2.92
Rot. Bonds3

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

2-(3-chlorophenyl)-5-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole (PubChem CID 53320687) has the molecular formula C16H17ClN6O and a molecular weight of 344.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole
PubChem CID53320687
Molecular FormulaC16H17ClN6O
Molecular Weight344.81 g/mol
Exact Mass344.12
IUPAC Name2-(3-chlorophenyl)-5-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole
SMILESCN1CCC(n2cc(-c3nnc(-c4cccc(Cl)c4)o3)nn2)CC1
InChIInChI=1S/C16H17ClN6O/c1-22-7-5-13(6-8-22)23-10-14(18-21-23)16-20-19-15(24-16)11-3-2-4-12(17)9-11/h2-4,9-10,13H,5-8H2,1H3
InChIKeyJTCSWWALAQHDEH-UHFFFAOYSA-N
XLogP2.92
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 52.92
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-methylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chlorophenyl)-5-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole (CID 53320687) is 2-(3-chlorophenyl)-5-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chlorophenyl)-5-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chlorophenyl)-5-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole is CN1CCC(n2cc(-c3nnc(-c4cccc(Cl)c4)o3)nn2)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-5-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole?
The InChIKey is JTCSWWALAQHDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O/c1-22-7-5-13(6-8-22)23-10-14(18-21-23)16-20-19-15(24-16)11-3-2-4-12(17)9-11/h2-4,9-10,13H,5-8H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-5-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole?
2-(3-chlorophenyl)-5-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole has a molecular weight of 344.81 g/mol, XLogP of 2.92, 3 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-methylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 53320687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).