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

C11H16N2O4 — CID 54960600

IUPACethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1c(C)noc1C
InChIInChI=1S/C11H16N2O4/c1-5-16-11(15)7(3)12-10(14)9-6(2)13-17-8(9)4/h7H,5H2,1-4H3,(H,12,14)
InChIKeyILWHWOSOUWBXQN-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.97
Rot. Bonds4

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

ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]propanoate (PubChem CID 54960600) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]propanoate
PubChem CID54960600
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Nameethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1c(C)noc1C
InChIInChI=1S/C11H16N2O4/c1-5-16-11(15)7(3)12-10(14)9-6(2)13-17-8(9)4/h7H,5H2,1-4H3,(H,12,14)
InChIKeyILWHWOSOUWBXQN-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 60668865
N-(4-hydroxy-3-methylbutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 115770862
ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 14676597
N-(1-hydroxypentan-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 115767467
5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid
CID 82854561
N-[1-(4-butan-2-ylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17249884
ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 17248983
N-(4-hydroxy-1-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 103851120
ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate
CID 61343316
ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate
CID 54960145
3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 17218078
3,5-dimethyl-N-(1-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 3632907

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]propanoate?
The IUPAC name of ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]propanoate (CID 54960600) is ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]propanoate is CCOC(=O)C(C)NC(=O)c1c(C)noc1C.
What is the InChIKey of ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]propanoate?
The InChIKey is ILWHWOSOUWBXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-5-16-11(15)7(3)12-10(14)9-6(2)13-17-8(9)4/h7H,5H2,1-4H3,(H,12,14).
What are the key properties of ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]propanoate?
ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]propanoate has a molecular weight of 240.26 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 54960600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).