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

C10H14N2O4 — CID 14676597

IUPACethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cc(C)on1
InChIInChI=1S/C10H14N2O4/c1-4-15-10(14)7(3)11-9(13)8-5-6(2)16-12-8/h5,7H,4H2,1-3H3,(H,11,13)
InChIKeyYZDOEUXFEIHNOS-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.66
Rot. Bonds4

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

ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate (PubChem CID 14676597) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
PubChem CID14676597
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Nameethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cc(C)on1
InChIInChI=1S/C10H14N2O4/c1-4-15-10(14)7(3)11-9(13)8-5-6(2)16-12-8/h5,7H,4H2,1-3H3,(H,11,13)
InChIKeyYZDOEUXFEIHNOS-UHFFFAOYSA-N
XLogP0.66
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 130166246
tert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 81004390
5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157356
N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104872804
ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate
CID 61343316
N-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66157155
ethyl (2S)-2-[[9-[[(2S)-1-ethoxy-1-oxopropan-2-yl]carbamoyl]-1,10-phenanthroline-2-carbonyl]amino]propanoate
CID 10695509
N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 63888339
5-methyl-N-(6-methylheptan-2-yl)-1,2-oxazole-3-carboxamide
CID 78790456
ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 54960600
ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate
CID 94211552
N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 144777996

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate?
The IUPAC name of ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate (CID 14676597) is ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate is CCOC(=O)C(C)NC(=O)c1cc(C)on1.
What is the InChIKey of ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate?
The InChIKey is YZDOEUXFEIHNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-4-15-10(14)7(3)11-9(13)8-5-6(2)16-12-8/h5,7H,4H2,1-3H3,(H,11,13).
What are the key properties of ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate?
ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate has a molecular weight of 226.23 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate is sourced from PubChem (CID 14676597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).