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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Related Compounds

4-methoxycarbonyl-3-methyl-1,2-oxazole-5-carboxylic acid
CID 5325770
methyl 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 15692973
methyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 105434387
methyl 5-bromo-3-methyl-1,2-oxazole-4-carboxylate
CID 84685263
4-ethoxycarbonyl-3-methyl-1,2-oxazole-5-carboxylic acid
CID 15692965
N,N-diethyl-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026164
N,N,3-triethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 51073384
methyl 3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-4-carboxylate
CID 10945034
methyl 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]butanoate
CID 54940779
dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate
CID 10878792
methyl 5-amino-4-(diethylcarbamoyl)-3-methylthiophene-2-carboxylate
CID 64899541
methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 19687512

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).