5-ethyl-4-(3-formyl-1,2-oxazol-5-yl)-1,2-oxazole-3-carboxamide

C10H9N3O4 — CID 141301816

IUPAC5-ethyl-4-(3-formyl-1,2-oxazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESCCc1onc(C(N)=O)c1-c1cc(C=O)no1
InChIInChI=1S/C10H9N3O4/c1-2-6-8(9(10(11)15)13-16-6)7-3-5(4-14)12-17-7/h3-4H,2H2,1H3,(H2,11,15)
InChIKeyVBTRJJCPNULKLP-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.80
Rot. Bonds4

About 5-ethyl-4-(3-formyl-1,2-oxazol-5-yl)-1,2-oxazole-3-carboxamide

5-ethyl-4-(3-formyl-1,2-oxazol-5-yl)-1,2-oxazole-3-carboxamide (PubChem CID 141301816) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 5-ethyl-4-(3-formyl-1,2-oxazol-5-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-(3-formyl-1,2-oxazol-5-yl)-1,2-oxazole-3-carboxamide
PubChem CID141301816
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name5-ethyl-4-(3-formyl-1,2-oxazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESCCc1onc(C(N)=O)c1-c1cc(C=O)no1
InChIInChI=1S/C10H9N3O4/c1-2-6-8(9(10(11)15)13-16-6)7-3-5(4-14)12-17-7/h3-4H,2H2,1H3,(H2,11,15)
InChIKeyVBTRJJCPNULKLP-UHFFFAOYSA-N
XLogP0.80
TPSA112.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(3-formyl-1,2-oxazol-5-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-ethyl-4-(3-formyl-1,2-oxazol-5-yl)-1,2-oxazole-3-carboxamide (CID 141301816) is 5-ethyl-4-(3-formyl-1,2-oxazol-5-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-4-(3-formyl-1,2-oxazol-5-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-ethyl-4-(3-formyl-1,2-oxazol-5-yl)-1,2-oxazole-3-carboxamide is CCc1onc(C(N)=O)c1-c1cc(C=O)no1.
What is the InChIKey of 5-ethyl-4-(3-formyl-1,2-oxazol-5-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is VBTRJJCPNULKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-2-6-8(9(10(11)15)13-16-6)7-3-5(4-14)12-17-7/h3-4H,2H2,1H3,(H2,11,15).
What are the key properties of 5-ethyl-4-(3-formyl-1,2-oxazol-5-yl)-1,2-oxazole-3-carboxamide?
5-ethyl-4-(3-formyl-1,2-oxazol-5-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 235.20 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(3-formyl-1,2-oxazol-5-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 141301816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).