N-ethoxy-1,3-oxazole-4-carboxamide

C6H8N2O3 — CID 130637813

IUPACN-ethoxy-1,3-oxazole-4-carboxamide
SMILESCCONC(=O)c1cocn1
InChIInChI=1S/C6H8N2O3/c1-2-11-8-6(9)5-3-10-4-7-5/h3-4H,2H2,1H3,(H,8,9)
InChIKeyUIBALAVLKAPXFK-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.36
Rot. Bonds3

About N-ethoxy-1,3-oxazole-4-carboxamide

N-ethoxy-1,3-oxazole-4-carboxamide (PubChem CID 130637813) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is N-ethoxy-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-ethoxy-1,3-oxazole-4-carboxamide
PubChem CID130637813
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC NameN-ethoxy-1,3-oxazole-4-carboxamide
SMILESCCONC(=O)c1cocn1
InChIInChI=1S/C6H8N2O3/c1-2-11-8-6(9)5-3-10-4-7-5/h3-4H,2H2,1H3,(H,8,9)
InChIKeyUIBALAVLKAPXFK-UHFFFAOYSA-N
XLogP0.36
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.36
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-ethoxy-1,3-oxazole-4-carboxamide?
The IUPAC name of N-ethoxy-1,3-oxazole-4-carboxamide (CID 130637813) is N-ethoxy-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-ethoxy-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-ethoxy-1,3-oxazole-4-carboxamide is CCONC(=O)c1cocn1.
What is the InChIKey of N-ethoxy-1,3-oxazole-4-carboxamide?
The InChIKey is UIBALAVLKAPXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-2-11-8-6(9)5-3-10-4-7-5/h3-4H,2H2,1H3,(H,8,9).
What are the key properties of N-ethoxy-1,3-oxazole-4-carboxamide?
N-ethoxy-1,3-oxazole-4-carboxamide has a molecular weight of 156.14 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 130637813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).