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

C4H5N3O3 — CID 129028471

IUPACN-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(C(=O)NO)no1
InChIInChI=1S/C4H5N3O3/c1-2-5-3(7-10-2)4(8)6-9/h9H,1H3,(H,6,8)
InChIKeyPNQWAWZEHPOFIJ-UHFFFAOYSA-N
MW143.10 g/mol
LogP-0.50
Rot. Bonds1

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

N-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 129028471) has the molecular formula C4H5N3O3 and a molecular weight of 143.10 g/mol. Its IUPAC name is N-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID129028471
Molecular FormulaC4H5N3O3
Molecular Weight143.10 g/mol
Exact Mass143.03
IUPAC NameN-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(C(=O)NO)no1
InChIInChI=1S/C4H5N3O3/c1-2-5-3(7-10-2)4(8)6-9/h9H,1H3,(H,6,8)
InChIKeyPNQWAWZEHPOFIJ-UHFFFAOYSA-N
XLogP-0.50
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.10
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboxamide (CID 129028471) is N-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboxamide is Cc1nc(C(=O)NO)no1.
What is the InChIKey of N-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is PNQWAWZEHPOFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O3/c1-2-5-3(7-10-2)4(8)6-9/h9H,1H3,(H,6,8).
What are the key properties of N-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboxamide?
N-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 143.10 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 129028471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).