propyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate

C11H17N3O4 — CID 70611608

IUPACpropyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate
SMILESCCCOC(=O)c1c(C)noc1NC(=O)NCC
InChIInChI=1S/C11H17N3O4/c1-4-6-17-10(15)8-7(3)14-18-9(8)13-11(16)12-5-2/h4-6H2,1-3H3,(H2,12,13,16)
InChIKeyUEXYLBNIDKROHC-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.69
Rot. Bonds5

About propyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate

propyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 70611608) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is propyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namepropyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID70611608
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Namepropyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate
SMILESCCCOC(=O)c1c(C)noc1NC(=O)NCC
InChIInChI=1S/C11H17N3O4/c1-4-6-17-10(15)8-7(3)14-18-9(8)13-11(16)12-5-2/h4-6H2,1-3H3,(H2,12,13,16)
InChIKeyUEXYLBNIDKROHC-UHFFFAOYSA-N
XLogP1.69
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of propyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate (CID 70611608) is propyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for propyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for propyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate is CCCOC(=O)c1c(C)noc1NC(=O)NCC.
What is the InChIKey of propyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is UEXYLBNIDKROHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-4-6-17-10(15)8-7(3)14-18-9(8)13-11(16)12-5-2/h4-6H2,1-3H3,(H2,12,13,16).
What are the key properties of propyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate?
propyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 255.27 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 70611608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).