ethyl 5-carbamoyl-2-methyl-1,3-oxazole-4-carboxylate

C8H10N2O4 — CID 68802765

IUPACethyl 5-carbamoyl-2-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)oc1C(N)=O
InChIInChI=1S/C8H10N2O4/c1-3-13-8(12)5-6(7(9)11)14-4(2)10-5/h3H2,1-2H3,(H2,9,11)
InChIKeyJNLMONWVIKWILC-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.26
Rot. Bonds3

About ethyl 5-carbamoyl-2-methyl-1,3-oxazole-4-carboxylate

ethyl 5-carbamoyl-2-methyl-1,3-oxazole-4-carboxylate (PubChem CID 68802765) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is ethyl 5-carbamoyl-2-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-carbamoyl-2-methyl-1,3-oxazole-4-carboxylate
PubChem CID68802765
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Nameethyl 5-carbamoyl-2-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)oc1C(N)=O
InChIInChI=1S/C8H10N2O4/c1-3-13-8(12)5-6(7(9)11)14-4(2)10-5/h3H2,1-2H3,(H2,9,11)
InChIKeyJNLMONWVIKWILC-UHFFFAOYSA-N
XLogP0.26
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
CID 163295222
ethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate;ethyl 5-bromo-2-methyl-1,3-oxazole-4-carboxylate
CID 159620918
dimethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate
CID 104865012
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 2-methyl-5-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxylate
CID 101389640
diethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate
CID 10513471
ethyl 2-(2,5-dimethyl-1,3-oxazol-4-yl)-5-methyl-1,3-oxazole-4-carboxylate
CID 10911923
ethyl 5-(5-bromofuran-2-yl)-2-methyl-1,3-oxazole-4-carboxylate
CID 139763006
ethyl 5-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-methyl-1,3-oxazole-4-carboxylate
CID 68802671
ethyl 2-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-oxazole-4-carboxylate
CID 102243359
ethyl 5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxylate
CID 69189763
5-bromo-2-methyl-1,3-oxazole-4-carboxamide
CID 59587437

Frequently Asked Questions

What is the IUPAC name of ethyl 5-carbamoyl-2-methyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-carbamoyl-2-methyl-1,3-oxazole-4-carboxylate (CID 68802765) is ethyl 5-carbamoyl-2-methyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-carbamoyl-2-methyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-carbamoyl-2-methyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(C)oc1C(N)=O.
What is the InChIKey of ethyl 5-carbamoyl-2-methyl-1,3-oxazole-4-carboxylate?
The InChIKey is JNLMONWVIKWILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-3-13-8(12)5-6(7(9)11)14-4(2)10-5/h3H2,1-2H3,(H2,9,11).
What are the key properties of ethyl 5-carbamoyl-2-methyl-1,3-oxazole-4-carboxylate?
ethyl 5-carbamoyl-2-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 198.18 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-carbamoyl-2-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 68802765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).