2-amino-1,3-oxazole-4-carboxamide

C4H5N3O2 — CID 21094800

IUPAC2-amino-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1coc(N)n1
InChIInChI=1S/C4H5N3O2/c5-3(8)2-1-9-4(6)7-2/h1H,(H2,5,8)(H2,6,7)
InChIKeyDMUQIMMDFYYYNS-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.64
Rot. Bonds1

About 2-amino-1,3-oxazole-4-carboxamide

2-amino-1,3-oxazole-4-carboxamide (PubChem CID 21094800) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is 2-amino-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-1,3-oxazole-4-carboxamide
PubChem CID21094800
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Name2-amino-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1coc(N)n1
InChIInChI=1S/C4H5N3O2/c5-3(8)2-1-9-4(6)7-2/h1H,(H2,5,8)(H2,6,7)
InChIKeyDMUQIMMDFYYYNS-UHFFFAOYSA-N
XLogP-0.64
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-amino-1,3-oxazole-4-carboxamide (CID 21094800) is 2-amino-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-amino-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-amino-1,3-oxazole-4-carboxamide is NC(=O)c1coc(N)n1.
What is the InChIKey of 2-amino-1,3-oxazole-4-carboxamide?
The InChIKey is DMUQIMMDFYYYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c5-3(8)2-1-9-4(6)7-2/h1H,(H2,5,8)(H2,6,7).
What are the key properties of 2-amino-1,3-oxazole-4-carboxamide?
2-amino-1,3-oxazole-4-carboxamide has a molecular weight of 127.10 g/mol, XLogP of -0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 21094800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).