2-(6-chloro-3-pyridinyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole

C17H16ClN3O2 — CID 2526596

IUPAC2-(6-chloro-3-pyridinyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole
SMILESCC(C)COc1ccc(-c2nnc(-c3ccc(Cl)nc3)o2)cc1
InChIInChI=1S/C17H16ClN3O2/c1-11(2)10-22-14-6-3-12(4-7-14)16-20-21-17(23-16)13-5-8-15(18)19-9-13/h3-9,11H,10H2,1-2H3
InChIKeyIOZZAXVJNUWRSC-UHFFFAOYSA-N
MW329.79 g/mol
LogP4.49
Rot. Bonds5

About 2-(6-chloro-3-pyridinyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole

2-(6-chloro-3-pyridinyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole (PubChem CID 2526596) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole
PubChem CID2526596
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name2-(6-chloro-3-pyridinyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole
SMILESCC(C)COc1ccc(-c2nnc(-c3ccc(Cl)nc3)o2)cc1
InChIInChI=1S/C17H16ClN3O2/c1-11(2)10-22-14-6-3-12(4-7-14)16-20-21-17(23-16)13-5-8-15(18)19-9-13/h3-9,11H,10H2,1-2H3
InChIKeyIOZZAXVJNUWRSC-UHFFFAOYSA-N
XLogP4.49
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole (CID 2526596) is 2-(6-chloro-3-pyridinyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole is CC(C)COc1ccc(-c2nnc(-c3ccc(Cl)nc3)o2)cc1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole?
The InChIKey is IOZZAXVJNUWRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-11(2)10-22-14-6-3-12(4-7-14)16-20-21-17(23-16)13-5-8-15(18)19-9-13/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-(6-chloro-3-pyridinyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole?
2-(6-chloro-3-pyridinyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole has a molecular weight of 329.79 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2526596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).