N-methoxy-5-methyl-1,3-oxazole-2-carboxamide

C6H8N2O3 — CID 126994874

IUPACN-methoxy-5-methyl-1,3-oxazole-2-carboxamide
SMILESCONC(=O)c1ncc(C)o1
InChIInChI=1S/C6H8N2O3/c1-4-3-7-6(11-4)5(9)8-10-2/h3H,1-2H3,(H,8,9)
InChIKeyWRXPKRGRIQBEDG-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.27
Rot. Bonds2

About N-methoxy-5-methyl-1,3-oxazole-2-carboxamide

N-methoxy-5-methyl-1,3-oxazole-2-carboxamide (PubChem CID 126994874) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is N-methoxy-5-methyl-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-methoxy-5-methyl-1,3-oxazole-2-carboxamide
PubChem CID126994874
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC NameN-methoxy-5-methyl-1,3-oxazole-2-carboxamide
SMILESCONC(=O)c1ncc(C)o1
InChIInChI=1S/C6H8N2O3/c1-4-3-7-6(11-4)5(9)8-10-2/h3H,1-2H3,(H,8,9)
InChIKeyWRXPKRGRIQBEDG-UHFFFAOYSA-N
XLogP0.27
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-1,3-oxazole-2-carboxamide?
The IUPAC name of N-methoxy-5-methyl-1,3-oxazole-2-carboxamide (CID 126994874) is N-methoxy-5-methyl-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-methoxy-5-methyl-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-methoxy-5-methyl-1,3-oxazole-2-carboxamide is CONC(=O)c1ncc(C)o1.
What is the InChIKey of N-methoxy-5-methyl-1,3-oxazole-2-carboxamide?
The InChIKey is WRXPKRGRIQBEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-4-3-7-6(11-4)5(9)8-10-2/h3H,1-2H3,(H,8,9).
What are the key properties of N-methoxy-5-methyl-1,3-oxazole-2-carboxamide?
N-methoxy-5-methyl-1,3-oxazole-2-carboxamide has a molecular weight of 156.14 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-5-methyl-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 126994874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).