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

C11H19N3O2 — CID 115347250

IUPAC3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-one
SMILESCCC(C(C)=O)c1nc(CCN(C)C)no1
InChIInChI=1S/C11H19N3O2/c1-5-9(8(2)15)11-12-10(13-16-11)6-7-14(3)4/h9H,5-7H2,1-4H3
InChIKeyAMQOKVDVROUUMA-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.26
Rot. Bonds6

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

3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-one (PubChem CID 115347250) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-one.

Molecular Properties

Compound Name3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-one
PubChem CID115347250
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-one
SMILESCCC(C(C)=O)c1nc(CCN(C)C)no1
InChIInChI=1S/C11H19N3O2/c1-5-9(8(2)15)11-12-10(13-16-11)6-7-14(3)4/h9H,5-7H2,1-4H3
InChIKeyAMQOKVDVROUUMA-UHFFFAOYSA-N
XLogP1.26
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-one?
The IUPAC name of 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-one (CID 115347250) is 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-one.
What is the SMILES notation for 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-one?
The canonical SMILES for 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-one is CCC(C(C)=O)c1nc(CCN(C)C)no1.
What is the InChIKey of 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-one?
The InChIKey is AMQOKVDVROUUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-9(8(2)15)11-12-10(13-16-11)6-7-14(3)4/h9H,5-7H2,1-4H3.
What are the key properties of 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-one?
3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-one has a molecular weight of 225.29 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-one is sourced from PubChem (CID 115347250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).