N-ethoxy-3-methyl-1,2,4-oxadiazole-5-carboxamide

C6H9N3O3 — CID 130741804

IUPACN-ethoxy-3-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCCONC(=O)c1nc(C)no1
InChIInChI=1S/C6H9N3O3/c1-3-11-9-5(10)6-7-4(2)8-12-6/h3H2,1-2H3,(H,9,10)
InChIKeyGNLZKTNUVJMNLG-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.06
Rot. Bonds3

About N-ethoxy-3-methyl-1,2,4-oxadiazole-5-carboxamide

N-ethoxy-3-methyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 130741804) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is N-ethoxy-3-methyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethoxy-3-methyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID130741804
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC NameN-ethoxy-3-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCCONC(=O)c1nc(C)no1
InChIInChI=1S/C6H9N3O3/c1-3-11-9-5(10)6-7-4(2)8-12-6/h3H2,1-2H3,(H,9,10)
InChIKeyGNLZKTNUVJMNLG-UHFFFAOYSA-N
XLogP0.06
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzhydryl-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 29131381
N-ethoxy-4-methyl-1,3-oxazole-5-carboxamide
CID 79486908
ethane;N-hydroxy-N,3-dimethyl-1,2,4-oxadiazole-5-carboxamide
CID 143899674
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 29135101
3-tert-butyl-N-methoxy-1,2,4-oxadiazole-5-carboxamide
CID 58336893
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-ethylbutanoate
CID 60561980
N-ethoxy-1,3-oxazole-4-carboxamide
CID 130637813
(3-methyl-1,2,4-oxadiazol-5-yl) propanoate
CID 21312932
(1Z)-1-hydroxyimino-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 137263733
6-chloro-N-ethoxypyrazine-2-carboxamide
CID 103186905
methyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)propanoate
CID 77230842
5-[(E)-but-2-en-2-yl]-3-methyl-1,2,4-oxadiazole
CID 89033738

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3-methyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-ethoxy-3-methyl-1,2,4-oxadiazole-5-carboxamide (CID 130741804) is N-ethoxy-3-methyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-ethoxy-3-methyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-ethoxy-3-methyl-1,2,4-oxadiazole-5-carboxamide is CCONC(=O)c1nc(C)no1.
What is the InChIKey of N-ethoxy-3-methyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is GNLZKTNUVJMNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-3-11-9-5(10)6-7-4(2)8-12-6/h3H2,1-2H3,(H,9,10).
What are the key properties of N-ethoxy-3-methyl-1,2,4-oxadiazole-5-carboxamide?
N-ethoxy-3-methyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 171.16 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3-methyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 130741804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).