2-(2-phenylpropan-2-yl)-1,3,4-oxadiazole

C11H12N2O — CID 10655223

IUPAC2-(2-phenylpropan-2-yl)-1,3,4-oxadiazole
SMILESCC(C)(c1ccccc1)c1nnco1
InChIInChI=1S/C11H12N2O/c1-11(2,10-13-12-8-14-10)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyIXXIAIHMNPBWFL-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.40
Rot. Bonds2

About 2-(2-phenylpropan-2-yl)-1,3,4-oxadiazole

2-(2-phenylpropan-2-yl)-1,3,4-oxadiazole (PubChem CID 10655223) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(2-phenylpropan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-phenylpropan-2-yl)-1,3,4-oxadiazole
PubChem CID10655223
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-(2-phenylpropan-2-yl)-1,3,4-oxadiazole
SMILESCC(C)(c1ccccc1)c1nnco1
InChIInChI=1S/C11H12N2O/c1-11(2,10-13-12-8-14-10)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyIXXIAIHMNPBWFL-UHFFFAOYSA-N
XLogP2.40
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpropan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-phenylpropan-2-yl)-1,3,4-oxadiazole (CID 10655223) is 2-(2-phenylpropan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-phenylpropan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-phenylpropan-2-yl)-1,3,4-oxadiazole is CC(C)(c1ccccc1)c1nnco1.
What is the InChIKey of 2-(2-phenylpropan-2-yl)-1,3,4-oxadiazole?
The InChIKey is IXXIAIHMNPBWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-11(2,10-13-12-8-14-10)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 2-(2-phenylpropan-2-yl)-1,3,4-oxadiazole?
2-(2-phenylpropan-2-yl)-1,3,4-oxadiazole has a molecular weight of 188.23 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpropan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 10655223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).