ethyl 5-carbamoyl-1,2-oxazole-3-carboxylate

C7H8N2O4 — CID 68802426

IUPACethyl 5-carbamoyl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(N)=O)on1
InChIInChI=1S/C7H8N2O4/c1-2-12-7(11)4-3-5(6(8)10)13-9-4/h3H,2H2,1H3,(H2,8,10)
InChIKeyGDVQYCWBIKBNAE-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.05
Rot. Bonds3

About ethyl 5-carbamoyl-1,2-oxazole-3-carboxylate

ethyl 5-carbamoyl-1,2-oxazole-3-carboxylate (PubChem CID 68802426) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is ethyl 5-carbamoyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-carbamoyl-1,2-oxazole-3-carboxylate
PubChem CID68802426
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Nameethyl 5-carbamoyl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(N)=O)on1
InChIInChI=1S/C7H8N2O4/c1-2-12-7(11)4-3-5(6(8)10)13-9-4/h3H,2H2,1H3,(H2,8,10)
InChIKeyGDVQYCWBIKBNAE-UHFFFAOYSA-N
XLogP-0.05
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-carbamoyl-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-carbamoyl-1,2-oxazole-3-carboxylate (CID 68802426) is ethyl 5-carbamoyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-carbamoyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-carbamoyl-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(C(N)=O)on1.
What is the InChIKey of ethyl 5-carbamoyl-1,2-oxazole-3-carboxylate?
The InChIKey is GDVQYCWBIKBNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-2-12-7(11)4-3-5(6(8)10)13-9-4/h3H,2H2,1H3,(H2,8,10).
What are the key properties of ethyl 5-carbamoyl-1,2-oxazole-3-carboxylate?
ethyl 5-carbamoyl-1,2-oxazole-3-carboxylate has a molecular weight of 184.15 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-carbamoyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 68802426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).