2-[4-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole

C17H17N3O2 — CID 647974

IUPAC2-[4-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCC(C)COc1ccc(-c2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C17H17N3O2/c1-12(2)11-21-15-5-3-13(4-6-15)16-19-20-17(22-16)14-7-9-18-10-8-14/h3-10,12H,11H2,1-2H3
InChIKeyJVNMBPPQMKHRCX-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.83
Rot. Bonds5

About 2-[4-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole

2-[4-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 647974) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[4-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID647974
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-[4-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCC(C)COc1ccc(-c2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C17H17N3O2/c1-12(2)11-21-15-5-3-13(4-6-15)16-19-20-17(22-16)14-7-9-18-10-8-14/h3-10,12H,11H2,1-2H3
InChIKeyJVNMBPPQMKHRCX-UHFFFAOYSA-N
XLogP3.83
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 647974) is 2-[4-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole is CC(C)COc1ccc(-c2nnc(-c3ccncc3)o2)cc1.
What is the InChIKey of 2-[4-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is JVNMBPPQMKHRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12(2)11-21-15-5-3-13(4-6-15)16-19-20-17(22-16)14-7-9-18-10-8-14/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-[4-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[4-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 295.34 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 647974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).