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

C7H11N3O3 — CID 60702394

IUPACmethyl 2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetate
SMILESCOC(=O)CN(C)Cc1ncon1
InChIInChI=1S/C7H11N3O3/c1-10(4-7(11)12-2)3-6-8-5-13-9-6/h5H,3-4H2,1-2H3
InChIKeyVPBQKBTYXKIOMS-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.33
Rot. Bonds4

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

methyl 2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetate (PubChem CID 60702394) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is methyl 2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetate
PubChem CID60702394
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Namemethyl 2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetate
SMILESCOC(=O)CN(C)Cc1ncon1
InChIInChI=1S/C7H11N3O3/c1-10(4-7(11)12-2)3-6-8-5-13-9-6/h5H,3-4H2,1-2H3
InChIKeyVPBQKBTYXKIOMS-UHFFFAOYSA-N
XLogP-0.33
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetate?
The IUPAC name of methyl 2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetate (CID 60702394) is methyl 2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetate is COC(=O)CN(C)Cc1ncon1.
What is the InChIKey of methyl 2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetate?
The InChIKey is VPBQKBTYXKIOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-10(4-7(11)12-2)3-6-8-5-13-9-6/h5H,3-4H2,1-2H3.
What are the key properties of methyl 2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetate?
methyl 2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetate has a molecular weight of 185.18 g/mol, XLogP of -0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetate is sourced from PubChem (CID 60702394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).