ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]acetate

C10H16N2O3 — CID 60812133

IUPACethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]acetate
SMILESCCOC(=O)CNCc1c(C)noc1C
InChIInChI=1S/C10H16N2O3/c1-4-14-10(13)6-11-5-9-7(2)12-15-8(9)3/h11H,4-6H2,1-3H3
InChIKeyNYINXGQUTCWJCR-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.94
Rot. Bonds5

About ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]acetate

ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]acetate (PubChem CID 60812133) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]acetate
PubChem CID60812133
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]acetate
SMILESCCOC(=O)CNCc1c(C)noc1C
InChIInChI=1S/C10H16N2O3/c1-4-14-10(13)6-11-5-9-7(2)12-15-8(9)3/h11H,4-6H2,1-3H3
InChIKeyNYINXGQUTCWJCR-UHFFFAOYSA-N
XLogP0.94
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-dimethylacetamide
CID 43214592
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-pentan-3-ylacetamide
CID 79241622
ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butanoate
CID 79242558
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(ethylamino)acetamide
CID 79236491
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea
CID 83111738
1-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclobutane-1-carboxamide
CID 81168317
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-ethylpropanamide
CID 79241462
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 60887968
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol
CID 28833064
ethyl N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamate
CID 110646305
methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-ethylbut-2-enoate
CID 103255657

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]acetate?
The IUPAC name of ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]acetate (CID 60812133) is ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]acetate is CCOC(=O)CNCc1c(C)noc1C.
What is the InChIKey of ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]acetate?
The InChIKey is NYINXGQUTCWJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-14-10(13)6-11-5-9-7(2)12-15-8(9)3/h11H,4-6H2,1-3H3.
What are the key properties of ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]acetate?
ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]acetate has a molecular weight of 212.25 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]acetate is sourced from PubChem (CID 60812133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).