methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate

C11H16N2O4 — CID 60668865

IUPACmethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate
SMILESCCc1noc(C)c1C(=O)NC(C)C(=O)OC
InChIInChI=1S/C11H16N2O4/c1-5-8-9(7(3)17-13-8)10(14)12-6(2)11(15)16-4/h6H,5H2,1-4H3,(H,12,14)
InChIKeyLHGLLVHGXSCNND-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.84
Rot. Bonds4

About methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate

methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate (PubChem CID 60668865) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate
PubChem CID60668865
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate
SMILESCCc1noc(C)c1C(=O)NC(C)C(=O)OC
InChIInChI=1S/C11H16N2O4/c1-5-8-9(7(3)17-13-8)10(14)12-6(2)11(15)16-4/h6H,5H2,1-4H3,(H,12,14)
InChIKeyLHGLLVHGXSCNND-UHFFFAOYSA-N
XLogP0.84
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate with MolForge

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Related Compounds

3-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 79255223
ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 54960600
3-ethyl-N-(1-hydroxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43418034
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]butanedioic acid
CID 78910383
3-ethyl-5-methyl-N-[(1S)-1-pyridin-4-ylethyl]-1,2-oxazole-4-carboxamide
CID 27233350
(2S)-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]pentanedioic acid
CID 61151729
3-ethyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]-1,2-oxazole-4-carboxamide
CID 51088312
3-ethyl-5-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide
CID 18775321
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 98217035
(3R)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-3-phenylpropanoic acid
CID 95766310
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
3-ethyl-5-methyl-N-(1-naphthalen-2-ylethyl)-1,2-oxazole-4-carboxamide
CID 18192523

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate (CID 60668865) is methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate is CCc1noc(C)c1C(=O)NC(C)C(=O)OC.
What is the InChIKey of methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate?
The InChIKey is LHGLLVHGXSCNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-5-8-9(7(3)17-13-8)10(14)12-6(2)11(15)16-4/h6H,5H2,1-4H3,(H,12,14).
What are the key properties of methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate?
methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate has a molecular weight of 240.26 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 60668865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).