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

C6H11N3O2 — CID 137002932

IUPAC3-[2-(dimethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one
SMILESCN(C)CCc1noc(=O)[nH]1
InChIInChI=1S/C6H11N3O2/c1-9(2)4-3-5-7-6(10)11-8-5/h3-4H2,1-2H3,(H,7,8,10)
InChIKeyOVMQKIOVXFPUHK-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.53
Rot. Bonds3

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

3-[2-(dimethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 137002932) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID137002932
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name3-[2-(dimethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one
SMILESCN(C)CCc1noc(=O)[nH]1
InChIInChI=1S/C6H11N3O2/c1-9(2)4-3-5-7-6(10)11-8-5/h3-4H2,1-2H3,(H,7,8,10)
InChIKeyOVMQKIOVXFPUHK-UHFFFAOYSA-N
XLogP-0.53
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one (CID 137002932) is 3-[2-(dimethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one is CN(C)CCc1noc(=O)[nH]1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is OVMQKIOVXFPUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-9(2)4-3-5-7-6(10)11-8-5/h3-4H2,1-2H3,(H,7,8,10).
What are the key properties of 3-[2-(dimethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one?
3-[2-(dimethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 157.17 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 137002932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).