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

C9H12N2O4 — CID 57333910

IUPACmethyl 5-ethyl-3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate
SMILESCCc1onc(C(=O)NC)c1C(=O)OC
InChIInChI=1S/C9H12N2O4/c1-4-5-6(9(13)14-3)7(11-15-5)8(12)10-2/h4H2,1-3H3,(H,10,12)
InChIKeyWBQSHSCHTGOTMS-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.38
Rot. Bonds3

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

methyl 5-ethyl-3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate (PubChem CID 57333910) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is methyl 5-ethyl-3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate
PubChem CID57333910
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Namemethyl 5-ethyl-3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate
SMILESCCc1onc(C(=O)NC)c1C(=O)OC
InChIInChI=1S/C9H12N2O4/c1-4-5-6(9(13)14-3)7(11-15-5)8(12)10-2/h4H2,1-3H3,(H,10,12)
InChIKeyWBQSHSCHTGOTMS-UHFFFAOYSA-N
XLogP0.38
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-ethyl-3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate (CID 57333910) is methyl 5-ethyl-3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-ethyl-3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-ethyl-3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate is CCc1onc(C(=O)NC)c1C(=O)OC.
What is the InChIKey of methyl 5-ethyl-3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate?
The InChIKey is WBQSHSCHTGOTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-4-5-6(9(13)14-3)7(11-15-5)8(12)10-2/h4H2,1-3H3,(H,10,12).
What are the key properties of methyl 5-ethyl-3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate?
methyl 5-ethyl-3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate has a molecular weight of 212.20 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 57333910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).