1,2-oxazole-3,4-dicarboxamide

C5H5N3O3 — CID 67849858

IUPAC1,2-oxazole-3,4-dicarboxamide
SMILESNC(=O)c1conc1C(N)=O
InChIInChI=1S/C5H5N3O3/c6-4(9)2-1-11-8-3(2)5(7)10/h1H,(H2,6,9)(H2,7,10)
InChIKeyCCCKDAJIRSOBGX-UHFFFAOYSA-N
MW155.11 g/mol
LogP-1.13
Rot. Bonds2

About 1,2-oxazole-3,4-dicarboxamide

1,2-oxazole-3,4-dicarboxamide (PubChem CID 67849858) has the molecular formula C5H5N3O3 and a molecular weight of 155.11 g/mol. Its IUPAC name is 1,2-oxazole-3,4-dicarboxamide.

Molecular Properties

Compound Name1,2-oxazole-3,4-dicarboxamide
PubChem CID67849858
Molecular FormulaC5H5N3O3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Name1,2-oxazole-3,4-dicarboxamide
SMILESNC(=O)c1conc1C(N)=O
InChIInChI=1S/C5H5N3O3/c6-4(9)2-1-11-8-3(2)5(7)10/h1H,(H2,6,9)(H2,7,10)
InChIKeyCCCKDAJIRSOBGX-UHFFFAOYSA-N
XLogP-1.13
TPSA112.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole-3,4-dicarboxamide?
The IUPAC name of 1,2-oxazole-3,4-dicarboxamide (CID 67849858) is 1,2-oxazole-3,4-dicarboxamide.
What is the SMILES notation for 1,2-oxazole-3,4-dicarboxamide?
The canonical SMILES for 1,2-oxazole-3,4-dicarboxamide is NC(=O)c1conc1C(N)=O.
What is the InChIKey of 1,2-oxazole-3,4-dicarboxamide?
The InChIKey is CCCKDAJIRSOBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3/c6-4(9)2-1-11-8-3(2)5(7)10/h1H,(H2,6,9)(H2,7,10).
What are the key properties of 1,2-oxazole-3,4-dicarboxamide?
1,2-oxazole-3,4-dicarboxamide has a molecular weight of 155.11 g/mol, XLogP of -1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole-3,4-dicarboxamide is sourced from PubChem (CID 67849858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).