methyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate

C8H12N2O3 — CID 82316641

IUPACmethyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate
SMILESCOC(=O)CCNc1cc(C)on1
InChIInChI=1S/C8H12N2O3/c1-6-5-7(10-13-6)9-4-3-8(11)12-2/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyATOQPZAAEAJMIY-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.96
Rot. Bonds4

About methyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate

methyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate (PubChem CID 82316641) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is methyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate
PubChem CID82316641
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Namemethyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate
SMILESCOC(=O)CCNc1cc(C)on1
InChIInChI=1S/C8H12N2O3/c1-6-5-7(10-13-6)9-4-3-8(11)12-2/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyATOQPZAAEAJMIY-UHFFFAOYSA-N
XLogP0.96
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methoxynaphthalen-2-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
CID 141228508
methyl 4-[3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]benzoate
CID 109041512
3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013411
1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
CID 109033606
3-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109040419
N-(2,6-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109035848
N-cyclohexyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109014106
N-(2,6-difluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042862
N-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042633
N-(4-acetylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109041036
3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109039607
methyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate
CID 80797128

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate?
The IUPAC name of methyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate (CID 82316641) is methyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate is COC(=O)CCNc1cc(C)on1.
What is the InChIKey of methyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate?
The InChIKey is ATOQPZAAEAJMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-6-5-7(10-13-6)9-4-3-8(11)12-2/h5H,3-4H2,1-2H3,(H,9,10).
What are the key properties of methyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate?
methyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate has a molecular weight of 184.19 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate is sourced from PubChem (CID 82316641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).