3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]cyclobutan-1-one

C8H11N3O2 — CID 121207755

IUPAC3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]cyclobutan-1-one
SMILESCN(C)c1nnc(C2CC(=O)C2)o1
InChIInChI=1S/C8H11N3O2/c1-11(2)8-10-9-7(13-8)5-3-6(12)4-5/h5H,3-4H2,1-2H3
InChIKeyQCMGYMIPKNHGMP-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.58
Rot. Bonds2

About 3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]cyclobutan-1-one

3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]cyclobutan-1-one (PubChem CID 121207755) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]cyclobutan-1-one.

Molecular Properties

Compound Name3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]cyclobutan-1-one
PubChem CID121207755
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]cyclobutan-1-one
SMILESCN(C)c1nnc(C2CC(=O)C2)o1
InChIInChI=1S/C8H11N3O2/c1-11(2)8-10-9-7(13-8)5-3-6(12)4-5/h5H,3-4H2,1-2H3
InChIKeyQCMGYMIPKNHGMP-UHFFFAOYSA-N
XLogP0.58
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]cyclobutan-1-one?
The IUPAC name of 3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]cyclobutan-1-one (CID 121207755) is 3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]cyclobutan-1-one.
What is the SMILES notation for 3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]cyclobutan-1-one?
The canonical SMILES for 3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]cyclobutan-1-one is CN(C)c1nnc(C2CC(=O)C2)o1.
What is the InChIKey of 3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]cyclobutan-1-one?
The InChIKey is QCMGYMIPKNHGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-11(2)8-10-9-7(13-8)5-3-6(12)4-5/h5H,3-4H2,1-2H3.
What are the key properties of 3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]cyclobutan-1-one?
3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]cyclobutan-1-one has a molecular weight of 181.19 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]cyclobutan-1-one is sourced from PubChem (CID 121207755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).