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

C13H21N3O4 — CID 70611944

IUPACethyl 5-(butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate
SMILESCCCCNC(=O)Nc1onc(CC)c1C(=O)OCC
InChIInChI=1S/C13H21N3O4/c1-4-7-8-14-13(18)15-11-10(12(17)19-6-3)9(5-2)16-20-11/h4-8H2,1-3H3,(H2,14,15,18)
InChIKeyJGPVKQADFSCRSC-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.34
Rot. Bonds7

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

ethyl 5-(butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate (PubChem CID 70611944) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl 5-(butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate
PubChem CID70611944
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Nameethyl 5-(butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate
SMILESCCCCNC(=O)Nc1onc(CC)c1C(=O)OCC
InChIInChI=1S/C13H21N3O4/c1-4-7-8-14-13(18)15-11-10(12(17)19-6-3)9(5-2)16-20-11/h4-8H2,1-3H3,(H2,14,15,18)
InChIKeyJGPVKQADFSCRSC-UHFFFAOYSA-N
XLogP2.34
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(3-Methylbutylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 4790439
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660681
Methyl 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate
CID 54043509
5-Formamido-3-propan-2-yl-1,2-oxazole-4-carboxylic acid
CID 54064613
(1-Carbamoylcyclopropyl) 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate
CID 57221837
Ethyl 3-ethyl-5-(propan-2-ylcarbamoylamino)-1,2-oxazole-4-carboxylate
CID 70611384
Ethyl 3-ethyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate
CID 70611576
Propyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate
CID 70611608
Ethyl 3-methyl-5-(methylcarbamoylamino)-1,2-oxazole-4-carboxylate
CID 70611676
Ethyl 5-[butylcarbamoyl(methyl)amino]-3-ethyl-1,2-oxazole-4-carboxylate
CID 70611695
Ethyl 5-(tert-butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate
CID 70611716
Butyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate
CID 70611757

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate (CID 70611944) is ethyl 5-(butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate is CCCCNC(=O)Nc1onc(CC)c1C(=O)OCC.
What is the InChIKey of ethyl 5-(butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate?
The InChIKey is JGPVKQADFSCRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-4-7-8-14-13(18)15-11-10(12(17)19-6-3)9(5-2)16-20-11/h4-8H2,1-3H3,(H2,14,15,18).
What are the key properties of ethyl 5-(butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate?
ethyl 5-(butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate has a molecular weight of 283.33 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 70611944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).