ethane;N-hydroxy-N,3-dimethyl-1,2,4-oxadiazole-5-carboxamide

C7H13N3O3 — CID 143899674

IUPACethane;N-hydroxy-N,3-dimethyl-1,2,4-oxadiazole-5-carboxamide
SMILESCC.Cc1noc(C(=O)N(C)O)n1
InChIInChI=1S/C5H7N3O3.C2H6/c1-3-6-4(11-7-3)5(9)8(2)10;1-2/h10H,1-2H3;1-2H3
InChIKeyMGEXRQLJQLGIGE-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.87
Rot. Bonds1

About ethane;N-hydroxy-N,3-dimethyl-1,2,4-oxadiazole-5-carboxamide

ethane;N-hydroxy-N,3-dimethyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 143899674) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is ethane;N-hydroxy-N,3-dimethyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Nameethane;N-hydroxy-N,3-dimethyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID143899674
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Nameethane;N-hydroxy-N,3-dimethyl-1,2,4-oxadiazole-5-carboxamide
SMILESCC.Cc1noc(C(=O)N(C)O)n1
InChIInChI=1S/C5H7N3O3.C2H6/c1-3-6-4(11-7-3)5(9)8(2)10;1-2/h10H,1-2H3;1-2H3
InChIKeyMGEXRQLJQLGIGE-UHFFFAOYSA-N
XLogP0.87
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethane;N-hydroxy-N,3-dimethyl-1,2,4-oxadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1Z)-1-hydroxyimino-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 137263733
5-[(E)-but-2-en-2-yl]-3-methyl-1,2,4-oxadiazole
CID 89033738
N-ethoxy-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 130741804
1,1-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea
CID 116658012
(3-methyl-1,2,4-oxadiazol-5-yl)-piperidin-4-ylmethanone
CID 155633060
4-(3-methyl-1,2,4-oxadiazole-5-carbonyl)piperazin-2-one
CID 29133530
N-benzhydryl-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 29131381
3,5-dimethyl-1,2,4-oxadiazole;ethane;hydroiodide
CID 143084717
2-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanoic acid
CID 43471079
(3-methyl-1,2,4-oxadiazol-5-yl) hydrogen carbonate
CID 68907025
methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 115612439
3-[methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid
CID 106420593

Frequently Asked Questions

What is the IUPAC name of ethane;N-hydroxy-N,3-dimethyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of ethane;N-hydroxy-N,3-dimethyl-1,2,4-oxadiazole-5-carboxamide (CID 143899674) is ethane;N-hydroxy-N,3-dimethyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for ethane;N-hydroxy-N,3-dimethyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for ethane;N-hydroxy-N,3-dimethyl-1,2,4-oxadiazole-5-carboxamide is CC.Cc1noc(C(=O)N(C)O)n1.
What is the InChIKey of ethane;N-hydroxy-N,3-dimethyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is MGEXRQLJQLGIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3.C2H6/c1-3-6-4(11-7-3)5(9)8(2)10;1-2/h10H,1-2H3;1-2H3.
What are the key properties of ethane;N-hydroxy-N,3-dimethyl-1,2,4-oxadiazole-5-carboxamide?
ethane;N-hydroxy-N,3-dimethyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 187.20 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-hydroxy-N,3-dimethyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 143899674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).