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

C5H7N3O3 — CID 64974715

IUPACN-methoxy-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCONC(=O)c1noc(C)n1
InChIInChI=1S/C5H7N3O3/c1-3-6-4(7-11-3)5(9)8-10-2/h1-2H3,(H,8,9)
InChIKeyMAMXWFFXXFXLFS-UHFFFAOYSA-N
MW157.13 g/mol
LogP-0.33
Rot. Bonds2

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

N-methoxy-5-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 64974715) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is N-methoxy-5-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-methoxy-5-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID64974715
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC NameN-methoxy-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCONC(=O)c1noc(C)n1
InChIInChI=1S/C5H7N3O3/c1-3-6-4(7-11-3)5(9)8-10-2/h1-2H3,(H,8,9)
InChIKeyMAMXWFFXXFXLFS-UHFFFAOYSA-N
XLogP-0.33
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-0.33
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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Frequently Asked Questions

What is the IUPAC name of N-methoxy-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-methoxy-5-methyl-1,2,4-oxadiazole-3-carboxamide (CID 64974715) is N-methoxy-5-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-methoxy-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-methoxy-5-methyl-1,2,4-oxadiazole-3-carboxamide is CONC(=O)c1noc(C)n1.
What is the InChIKey of N-methoxy-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is MAMXWFFXXFXLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3/c1-3-6-4(7-11-3)5(9)8-10-2/h1-2H3,(H,8,9).
What are the key properties of N-methoxy-5-methyl-1,2,4-oxadiazole-3-carboxamide?
N-methoxy-5-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 157.13 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-5-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 64974715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).