2-propan-2-yl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole

C13H17N3O — CID 68909300

IUPAC2-propan-2-yl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole
SMILESCC(C)c1nnc(C(C)(C)c2ccccn2)o1
InChIInChI=1S/C13H17N3O/c1-9(2)11-15-16-12(17-11)13(3,4)10-7-5-6-8-14-10/h5-9H,1-4H3
InChIKeySLFNXLNNSSOXKW-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.91
Rot. Bonds3

About 2-propan-2-yl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole

2-propan-2-yl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole (PubChem CID 68909300) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-propan-2-yl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole
PubChem CID68909300
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-propan-2-yl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole
SMILESCC(C)c1nnc(C(C)(C)c2ccccn2)o1
InChIInChI=1S/C13H17N3O/c1-9(2)11-15-16-12(17-11)13(3,4)10-7-5-6-8-14-10/h5-9H,1-4H3
InChIKeySLFNXLNNSSOXKW-UHFFFAOYSA-N
XLogP2.91
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-propan-2-yl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole (CID 68909300) is 2-propan-2-yl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-propan-2-yl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-propan-2-yl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole is CC(C)c1nnc(C(C)(C)c2ccccn2)o1.
What is the InChIKey of 2-propan-2-yl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole?
The InChIKey is SLFNXLNNSSOXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(2)11-15-16-12(17-11)13(3,4)10-7-5-6-8-14-10/h5-9H,1-4H3.
What are the key properties of 2-propan-2-yl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole?
2-propan-2-yl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole has a molecular weight of 231.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 68909300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).