methyl 4-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoate

C9H15N3O3 — CID 55208401

IUPACmethyl 4-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoate
SMILESCOC(=O)CCCN(C)Cc1ncon1
InChIInChI=1S/C9H15N3O3/c1-12(5-3-4-9(13)14-2)6-8-10-7-15-11-8/h7H,3-6H2,1-2H3
InChIKeyGFZLVRLWDKKHNL-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.45
Rot. Bonds6

About methyl 4-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoate

methyl 4-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoate (PubChem CID 55208401) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is methyl 4-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoate
PubChem CID55208401
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Namemethyl 4-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoate
SMILESCOC(=O)CCCN(C)Cc1ncon1
InChIInChI=1S/C9H15N3O3/c1-12(5-3-4-9(13)14-2)6-8-10-7-15-11-8/h7H,3-6H2,1-2H3
InChIKeyGFZLVRLWDKKHNL-UHFFFAOYSA-N
XLogP0.45
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoate (CID 55208401) is methyl 4-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoate is COC(=O)CCCN(C)Cc1ncon1.
What is the InChIKey of methyl 4-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoate?
The InChIKey is GFZLVRLWDKKHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-12(5-3-4-9(13)14-2)6-8-10-7-15-11-8/h7H,3-6H2,1-2H3.
What are the key properties of methyl 4-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoate?
methyl 4-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoate has a molecular weight of 213.24 g/mol, XLogP of 0.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoate is sourced from PubChem (CID 55208401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).