ethyl 4-amino-1,2-oxazole-3-carboxylate

C6H8N2O3 — CID 43842006

IUPACethyl 4-amino-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1nocc1N
InChIInChI=1S/C6H8N2O3/c1-2-10-6(9)5-4(7)3-11-8-5/h3H,2,7H2,1H3
InChIKeyONTSEXDZCMYQRG-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.43
Rot. Bonds2

About ethyl 4-amino-1,2-oxazole-3-carboxylate

ethyl 4-amino-1,2-oxazole-3-carboxylate (PubChem CID 43842006) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is ethyl 4-amino-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1,2-oxazole-3-carboxylate
PubChem CID43842006
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Nameethyl 4-amino-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1nocc1N
InChIInChI=1S/C6H8N2O3/c1-2-10-6(9)5-4(7)3-11-8-5/h3H,2,7H2,1H3
InChIKeyONTSEXDZCMYQRG-UHFFFAOYSA-N
XLogP0.43
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 4-amino-1,2-oxazole-3-carboxylate (CID 43842006) is ethyl 4-amino-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 4-amino-1,2-oxazole-3-carboxylate is CCOC(=O)c1nocc1N.
What is the InChIKey of ethyl 4-amino-1,2-oxazole-3-carboxylate?
The InChIKey is ONTSEXDZCMYQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-2-10-6(9)5-4(7)3-11-8-5/h3H,2,7H2,1H3.
What are the key properties of ethyl 4-amino-1,2-oxazole-3-carboxylate?
ethyl 4-amino-1,2-oxazole-3-carboxylate has a molecular weight of 156.14 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 43842006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).