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

C13H21N3O4 — CID 70611716

IUPACethyl 5-(tert-butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(CC)noc1NC(=O)NC(C)(C)C
InChIInChI=1S/C13H21N3O4/c1-6-8-9(11(17)19-7-2)10(20-16-8)14-12(18)15-13(3,4)5/h6-7H2,1-5H3,(H2,14,15,18)
InChIKeyDAISNVGHUKWQKU-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.33
Rot. Bonds4

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

ethyl 5-(tert-butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate (PubChem CID 70611716) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl 5-(tert-butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(tert-butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate
PubChem CID70611716
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Nameethyl 5-(tert-butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(CC)noc1NC(=O)NC(C)(C)C
InChIInChI=1S/C13H21N3O4/c1-6-8-9(11(17)19-7-2)10(20-16-8)14-12(18)15-13(3,4)5/h6-7H2,1-5H3,(H2,14,15,18)
InChIKeyDAISNVGHUKWQKU-UHFFFAOYSA-N
XLogP2.33
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(tert-butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(tert-butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate (CID 70611716) is ethyl 5-(tert-butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(tert-butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(tert-butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(CC)noc1NC(=O)NC(C)(C)C.
What is the InChIKey of ethyl 5-(tert-butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate?
The InChIKey is DAISNVGHUKWQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-6-8-9(11(17)19-7-2)10(20-16-8)14-12(18)15-13(3,4)5/h6-7H2,1-5H3,(H2,14,15,18).
What are the key properties of ethyl 5-(tert-butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate?
ethyl 5-(tert-butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate has a molecular weight of 283.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(tert-butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 70611716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).