ethyl 2-[benzyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]acetate

C15H19N3O3 — CID 78962416

IUPACethyl 2-[benzyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)Cc1nonc1C
InChIInChI=1S/C15H19N3O3/c1-3-20-15(19)11-18(9-13-7-5-4-6-8-13)10-14-12(2)16-21-17-14/h4-8H,3,9-11H2,1-2H3
InChIKeyNIWGVKGUEKGUIW-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.94
Rot. Bonds7

About ethyl 2-[benzyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]acetate

ethyl 2-[benzyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]acetate (PubChem CID 78962416) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is ethyl 2-[benzyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]acetate
PubChem CID78962416
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Nameethyl 2-[benzyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)Cc1nonc1C
InChIInChI=1S/C15H19N3O3/c1-3-20-15(19)11-18(9-13-7-5-4-6-8-13)10-14-12(2)16-21-17-14/h4-8H,3,9-11H2,1-2H3
InChIKeyNIWGVKGUEKGUIW-UHFFFAOYSA-N
XLogP1.94
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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[4-[[bis(2-ethoxy-2-oxoethyl)amino]methyl]phenyl]-diphenylsulfanium
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CID 78977806
ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate
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4-[benzyl-(2-ethoxy-2-oxoethyl)amino]-2-ethylbutanoic acid
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]acetate?
The IUPAC name of ethyl 2-[benzyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]acetate (CID 78962416) is ethyl 2-[benzyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]acetate?
The canonical SMILES for ethyl 2-[benzyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]acetate is CCOC(=O)CN(Cc1ccccc1)Cc1nonc1C.
What is the InChIKey of ethyl 2-[benzyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]acetate?
The InChIKey is NIWGVKGUEKGUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-20-15(19)11-18(9-13-7-5-4-6-8-13)10-14-12(2)16-21-17-14/h4-8H,3,9-11H2,1-2H3.
What are the key properties of ethyl 2-[benzyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]acetate?
ethyl 2-[benzyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]acetate has a molecular weight of 289.34 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]acetate is sourced from PubChem (CID 78962416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).