methyl 2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]morpholin-2-yl]acetate

C13H19N3O5 — CID 79827537

IUPACmethyl 2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CC(=O)Nc2cc(C)no2)CCO1
InChIInChI=1S/C13H19N3O5/c1-9-5-12(21-15-9)14-11(17)8-16-3-4-20-10(7-16)6-13(18)19-2/h5,10H,3-4,6-8H2,1-2H3,(H,14,17)
InChIKeyLZTGLMJJCROTQC-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.19
Rot. Bonds5

About methyl 2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]morpholin-2-yl]acetate

methyl 2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]morpholin-2-yl]acetate (PubChem CID 79827537) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl 2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]morpholin-2-yl]acetate
PubChem CID79827537
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Namemethyl 2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CC(=O)Nc2cc(C)no2)CCO1
InChIInChI=1S/C13H19N3O5/c1-9-5-12(21-15-9)14-11(17)8-16-3-4-20-10(7-16)6-13(18)19-2/h5,10H,3-4,6-8H2,1-2H3,(H,14,17)
InChIKeyLZTGLMJJCROTQC-UHFFFAOYSA-N
XLogP0.19
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]morpholin-2-yl]acetate with MolForge

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Related Compounds

2-[2-(aminomethyl)morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 114395286
N-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylacetamide
CID 3045297
methyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylate
CID 113225035
N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]acetamide
CID 95135990
methyl (3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 79037832
methyl 2-[4-[2-oxo-2-(pentan-3-ylamino)ethyl]morpholin-2-yl]acetate
CID 79822955
methyl 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]morpholin-2-yl]acetate
CID 79822362
1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 55151558
2-(3,5-dimethylpiperazin-1-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
CID 119924199
2-[3-(methylamino)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
CID 119920207
N-(3-methyl-1,2-oxazol-5-yl)-2-piperazin-1-ylacetamide
CID 43130598
ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 51288846

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]morpholin-2-yl]acetate (CID 79827537) is methyl 2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]morpholin-2-yl]acetate is COC(=O)CC1CN(CC(=O)Nc2cc(C)no2)CCO1.
What is the InChIKey of methyl 2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]morpholin-2-yl]acetate?
The InChIKey is LZTGLMJJCROTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-9-5-12(21-15-9)14-11(17)8-16-3-4-20-10(7-16)6-13(18)19-2/h5,10H,3-4,6-8H2,1-2H3,(H,14,17).
What are the key properties of methyl 2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]morpholin-2-yl]acetate?
methyl 2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]morpholin-2-yl]acetate has a molecular weight of 297.31 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]morpholin-2-yl]acetate is sourced from PubChem (CID 79827537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).