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

C12H20N2O3 — CID 79242558

IUPACethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butanoate
SMILESCCOC(=O)C(CC)NCc1c(C)noc1C
InChIInChI=1S/C12H20N2O3/c1-5-11(12(15)16-6-2)13-7-10-8(3)14-17-9(10)4/h11,13H,5-7H2,1-4H3
InChIKeyRXROPUOIEIVHNV-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.72
Rot. Bonds6

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

ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butanoate (PubChem CID 79242558) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butanoate.

Molecular Properties

Compound Nameethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butanoate
PubChem CID79242558
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nameethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butanoate
SMILESCCOC(=O)C(CC)NCc1c(C)noc1C
InChIInChI=1S/C12H20N2O3/c1-5-11(12(15)16-6-2)13-7-10-8(3)14-17-9(10)4/h11,13H,5-7H2,1-4H3
InChIKeyRXROPUOIEIVHNV-UHFFFAOYSA-N
XLogP1.72
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylpentan-2-amine
CID 97054312
ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]acetate
CID 60812133
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butan-1-ol
CID 28781690
(2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
CID 79236085
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,4-dimethylpentanamide
CID 43750713
2-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
CID 79236983
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-dimethylpropanamide
CID 43574032
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide
CID 79235982
ethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanoate
CID 106371541
ethyl N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamate
CID 110646305
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-pentan-3-ylacetamide
CID 79241622

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butanoate?
The IUPAC name of ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butanoate (CID 79242558) is ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butanoate.
What is the SMILES notation for ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butanoate?
The canonical SMILES for ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butanoate is CCOC(=O)C(CC)NCc1c(C)noc1C.
What is the InChIKey of ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butanoate?
The InChIKey is RXROPUOIEIVHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-5-11(12(15)16-6-2)13-7-10-8(3)14-17-9(10)4/h11,13H,5-7H2,1-4H3.
What are the key properties of ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butanoate?
ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butanoate has a molecular weight of 240.30 g/mol, XLogP of 1.72, 6 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]butanoate is sourced from PubChem (CID 79242558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).