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

C11H17N3O4 — CID 70612046

IUPACethyl 3-methyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate
SMILESCCCNC(=O)Nc1onc(C)c1C(=O)OCC
InChIInChI=1S/C11H17N3O4/c1-4-6-12-11(16)13-9-8(7(3)14-18-9)10(15)17-5-2/h4-6H2,1-3H3,(H2,12,13,16)
InChIKeyDTDVLJMOMUWMHX-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.69
Rot. Bonds5

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

ethyl 3-methyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate (PubChem CID 70612046) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is ethyl 3-methyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate
PubChem CID70612046
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Nameethyl 3-methyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate
SMILESCCCNC(=O)Nc1onc(C)c1C(=O)OCC
InChIInChI=1S/C11H17N3O4/c1-4-6-12-11(16)13-9-8(7(3)14-18-9)10(15)17-5-2/h4-6H2,1-3H3,(H2,12,13,16)
InChIKeyDTDVLJMOMUWMHX-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 ethyl 3-methyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-methyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate (CID 70612046) is ethyl 3-methyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate is CCCNC(=O)Nc1onc(C)c1C(=O)OCC.
What is the InChIKey of ethyl 3-methyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate?
The InChIKey is DTDVLJMOMUWMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-4-6-12-11(16)13-9-8(7(3)14-18-9)10(15)17-5-2/h4-6H2,1-3H3,(H2,12,13,16).
What are the key properties of ethyl 3-methyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate?
ethyl 3-methyl-5-(propylcarbamoylamino)-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 ethyl 3-methyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 70612046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).