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

C10H14N2O5 — CID 66156389

IUPACmethyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate
SMILESCOCc1cc(C(=O)NC(C)C(=O)OC)no1
InChIInChI=1S/C10H14N2O5/c1-6(10(14)16-3)11-9(13)8-4-7(5-15-2)17-12-8/h4,6H,5H2,1-3H3,(H,11,13)
InChIKeyIALYNAHWJKRAEX-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.11
Rot. Bonds5

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

methyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate (PubChem CID 66156389) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is methyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate
PubChem CID66156389
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Namemethyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate
SMILESCOCc1cc(C(=O)NC(C)C(=O)OC)no1
InChIInChI=1S/C10H14N2O5/c1-6(10(14)16-3)11-9(13)8-4-7(5-15-2)17-12-8/h4,6H,5H2,1-3H3,(H,11,13)
InChIKeyIALYNAHWJKRAEX-UHFFFAOYSA-N
XLogP0.11
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157357
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 77113433
N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 120505183
3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66158499
4-amino-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-4-oxobutanoic acid
CID 66156724
4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 66157136
5-(methoxymethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 66156376
N-(1-hydroxy-3-methoxypropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 114079017
N-[(2S)-3-amino-2-methylpropyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 124685846
4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66157132
N-(1-aminohexan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 80698227
N-(1-amino-2,3-dimethylbutan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 81486962

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate?
The IUPAC name of methyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate (CID 66156389) is methyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate?
The canonical SMILES for methyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate is COCc1cc(C(=O)NC(C)C(=O)OC)no1.
What is the InChIKey of methyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate?
The InChIKey is IALYNAHWJKRAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-6(10(14)16-3)11-9(13)8-4-7(5-15-2)17-12-8/h4,6H,5H2,1-3H3,(H,11,13).
What are the key properties of methyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate?
methyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate has a molecular weight of 242.23 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate is sourced from PubChem (CID 66156389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).