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

C11H16N2O4 — CID 15066157

IUPACmethyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate
SMILESCCN(CC)C(=O)c1onc(C)c1C(=O)OC
InChIInChI=1S/C11H16N2O4/c1-5-13(6-2)10(14)9-8(11(15)16-4)7(3)12-17-9/h5-6H2,1-4H3
InChIKeyXGUIBYGRDIPITB-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.25
Rot. Bonds4

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

methyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 15066157) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID15066157
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate
SMILESCCN(CC)C(=O)c1onc(C)c1C(=O)OC
InChIInChI=1S/C11H16N2O4/c1-5-13(6-2)10(14)9-8(11(15)16-4)7(3)12-17-9/h5-6H2,1-4H3
InChIKeyXGUIBYGRDIPITB-UHFFFAOYSA-N
XLogP1.25
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate (CID 15066157) is methyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate is CCN(CC)C(=O)c1onc(C)c1C(=O)OC.
What is the InChIKey of methyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is XGUIBYGRDIPITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-5-13(6-2)10(14)9-8(11(15)16-4)7(3)12-17-9/h5-6H2,1-4H3.
What are the key properties of methyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate?
methyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 15066157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).