5-(2,2-dimethylpropyl)-3H-1,3,4-oxadiazol-2-one

C7H12N2O2 — CID 58260871

IUPAC5-(2,2-dimethylpropyl)-3H-1,3,4-oxadiazol-2-one
SMILESCC(C)(C)Cc1n[nH]c(=O)o1
InChIInChI=1S/C7H12N2O2/c1-7(2,3)4-5-8-9-6(10)11-5/h4H2,1-3H3,(H,9,10)
InChIKeyUBMLYOSAPJKYII-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.95
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-3H-1,3,4-oxadiazol-2-one

5-(2,2-dimethylpropyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 58260871) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID58260871
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name5-(2,2-dimethylpropyl)-3H-1,3,4-oxadiazol-2-one
SMILESCC(C)(C)Cc1n[nH]c(=O)o1
InChIInChI=1S/C7H12N2O2/c1-7(2,3)4-5-8-9-6(10)11-5/h4H2,1-3H3,(H,9,10)
InChIKeyUBMLYOSAPJKYII-UHFFFAOYSA-N
XLogP0.95
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(2,2-dimethylpropyl)-3H-1,3,4-oxadiazol-2-one (CID 58260871) is 5-(2,2-dimethylpropyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(2,2-dimethylpropyl)-3H-1,3,4-oxadiazol-2-one is CC(C)(C)Cc1n[nH]c(=O)o1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is UBMLYOSAPJKYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-7(2,3)4-5-8-9-6(10)11-5/h4H2,1-3H3,(H,9,10).
What are the key properties of 5-(2,2-dimethylpropyl)-3H-1,3,4-oxadiazol-2-one?
5-(2,2-dimethylpropyl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 156.19 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 58260871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).