ethyl 3-ethyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate

C12H19N3O4 — CID 70611576

IUPACethyl 3-ethyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate
SMILESCCCNC(=O)Nc1onc(CC)c1C(=O)OCC
InChIInChI=1S/C12H19N3O4/c1-4-7-13-12(17)14-10-9(11(16)18-6-3)8(5-2)15-19-10/h4-7H2,1-3H3,(H2,13,14,17)
InChIKeyUOOQXVPDQMAFFU-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.95
Rot. Bonds6

About ethyl 3-ethyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate

ethyl 3-ethyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate (PubChem CID 70611576) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl 3-ethyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate
PubChem CID70611576
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Nameethyl 3-ethyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate
SMILESCCCNC(=O)Nc1onc(CC)c1C(=O)OCC
InChIInChI=1S/C12H19N3O4/c1-4-7-13-12(17)14-10-9(11(16)18-6-3)8(5-2)15-19-10/h4-7H2,1-3H3,(H2,13,14,17)
InChIKeyUOOQXVPDQMAFFU-UHFFFAOYSA-N
XLogP1.95
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-ethyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate (CID 70611576) is ethyl 3-ethyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-ethyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate is CCCNC(=O)Nc1onc(CC)c1C(=O)OCC.
What is the InChIKey of ethyl 3-ethyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate?
The InChIKey is UOOQXVPDQMAFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-4-7-13-12(17)14-10-9(11(16)18-6-3)8(5-2)15-19-10/h4-7H2,1-3H3,(H2,13,14,17).
What are the key properties of ethyl 3-ethyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate?
ethyl 3-ethyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 70611576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).