3-amino-2-methoxy-N-(1,2-oxazol-3-ylmethyl)propanamide

C8H13N3O3 — CID 106113222

IUPAC3-amino-2-methoxy-N-(1,2-oxazol-3-ylmethyl)propanamide
SMILESCOC(CN)C(=O)NCc1ccon1
InChIInChI=1S/C8H13N3O3/c1-13-7(4-9)8(12)10-5-6-2-3-14-11-6/h2-3,7H,4-5,9H2,1H3,(H,10,12)
InChIKeyLKFQBXTWIHFYAO-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.74
Rot. Bonds5

About 3-amino-2-methoxy-N-(1,2-oxazol-3-ylmethyl)propanamide

3-amino-2-methoxy-N-(1,2-oxazol-3-ylmethyl)propanamide (PubChem CID 106113222) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-(1,2-oxazol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-(1,2-oxazol-3-ylmethyl)propanamide
PubChem CID106113222
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name3-amino-2-methoxy-N-(1,2-oxazol-3-ylmethyl)propanamide
SMILESCOC(CN)C(=O)NCc1ccon1
InChIInChI=1S/C8H13N3O3/c1-13-7(4-9)8(12)10-5-6-2-3-14-11-6/h2-3,7H,4-5,9H2,1H3,(H,10,12)
InChIKeyLKFQBXTWIHFYAO-UHFFFAOYSA-N
XLogP-0.74
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxypropanamide
CID 106112944
3-amino-N-[(2-hydroxyphenyl)methyl]-2-methoxypropanamide
CID 106113948
methyl 2-bromo-3-(1,2-oxazol-3-ylmethylamino)propanoate
CID 103259745
2-amino-N-[2-(1,2-oxazol-3-ylmethylamino)-2-oxoethyl]acetamide;hydrochloride
CID 167874068
3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide
CID 106112443
1-amino-3-(1,2-oxazol-3-ylmethyl)urea
CID 81177768
methyl 2-(1,2-oxazol-3-ylmethylamino)butanoate
CID 115353525
2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide
CID 81177144
3-methoxy-2-(1,2-oxazol-3-ylmethylamino)propanoic acid
CID 103259741
2-(methylamino)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81171210
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxypropanamide
CID 106111327
ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate
CID 79493406

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-(1,2-oxazol-3-ylmethyl)propanamide?
The IUPAC name of 3-amino-2-methoxy-N-(1,2-oxazol-3-ylmethyl)propanamide (CID 106113222) is 3-amino-2-methoxy-N-(1,2-oxazol-3-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-(1,2-oxazol-3-ylmethyl)propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-(1,2-oxazol-3-ylmethyl)propanamide is COC(CN)C(=O)NCc1ccon1.
What is the InChIKey of 3-amino-2-methoxy-N-(1,2-oxazol-3-ylmethyl)propanamide?
The InChIKey is LKFQBXTWIHFYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-13-7(4-9)8(12)10-5-6-2-3-14-11-6/h2-3,7H,4-5,9H2,1H3,(H,10,12).
What are the key properties of 3-amino-2-methoxy-N-(1,2-oxazol-3-ylmethyl)propanamide?
3-amino-2-methoxy-N-(1,2-oxazol-3-ylmethyl)propanamide has a molecular weight of 199.21 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-(1,2-oxazol-3-ylmethyl)propanamide is sourced from PubChem (CID 106113222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).