3-[2-methoxyethyl(methyl)amino]-4H-1,2,4-oxadiazol-5-one

C6H11N3O3 — CID 137003780

IUPAC3-[2-methoxyethyl(methyl)amino]-4H-1,2,4-oxadiazol-5-one
SMILESCOCCN(C)c1noc(=O)[nH]1
InChIInChI=1S/C6H11N3O3/c1-9(3-4-11-2)5-7-6(10)12-8-5/h3-4H2,1-2H3,(H,7,8,10)
InChIKeyAGCRVVAMMAFFSI-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.55
Rot. Bonds4

About 3-[2-methoxyethyl(methyl)amino]-4H-1,2,4-oxadiazol-5-one

3-[2-methoxyethyl(methyl)amino]-4H-1,2,4-oxadiazol-5-one (PubChem CID 137003780) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-[2-methoxyethyl(methyl)amino]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[2-methoxyethyl(methyl)amino]-4H-1,2,4-oxadiazol-5-one
PubChem CID137003780
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name3-[2-methoxyethyl(methyl)amino]-4H-1,2,4-oxadiazol-5-one
SMILESCOCCN(C)c1noc(=O)[nH]1
InChIInChI=1S/C6H11N3O3/c1-9(3-4-11-2)5-7-6(10)12-8-5/h3-4H2,1-2H3,(H,7,8,10)
InChIKeyAGCRVVAMMAFFSI-UHFFFAOYSA-N
XLogP-0.55
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(methyl)amino]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[2-methoxyethyl(methyl)amino]-4H-1,2,4-oxadiazol-5-one (CID 137003780) is 3-[2-methoxyethyl(methyl)amino]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[2-methoxyethyl(methyl)amino]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[2-methoxyethyl(methyl)amino]-4H-1,2,4-oxadiazol-5-one is COCCN(C)c1noc(=O)[nH]1.
What is the InChIKey of 3-[2-methoxyethyl(methyl)amino]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is AGCRVVAMMAFFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-9(3-4-11-2)5-7-6(10)12-8-5/h3-4H2,1-2H3,(H,7,8,10).
What are the key properties of 3-[2-methoxyethyl(methyl)amino]-4H-1,2,4-oxadiazol-5-one?
3-[2-methoxyethyl(methyl)amino]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 173.17 g/mol, XLogP of -0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(methyl)amino]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 137003780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).