methyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate

C7H10N2O4 — CID 79474749

IUPACmethyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate
SMILESCOCc1noc(CC(=O)OC)n1
InChIInChI=1S/C7H10N2O4/c1-11-4-5-8-6(13-9-5)3-7(10)12-2/h3-4H2,1-2H3
InChIKeyZMGAORCOQQFKGS-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.07
Rot. Bonds4

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

methyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate (PubChem CID 79474749) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is methyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate
PubChem CID79474749
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Namemethyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate
SMILESCOCc1noc(CC(=O)OC)n1
InChIInChI=1S/C7H10N2O4/c1-11-4-5-8-6(13-9-5)3-7(10)12-2/h3-4H2,1-2H3
InChIKeyZMGAORCOQQFKGS-UHFFFAOYSA-N
XLogP-0.07
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 103473228
methyl 2-(3-butyl-1,2,4-oxadiazol-5-yl)acetate
CID 79474456
methyl 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 79474499
methyl 2-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 79474355
methyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474343
ethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79475312
methyl 2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 79474900
2-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 54977860
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 63349559
4-acetyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide
CID 122560318
methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474434
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 122562885

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate?
The IUPAC name of methyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate (CID 79474749) is methyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate.
What is the SMILES notation for methyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate?
The canonical SMILES for methyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate is COCc1noc(CC(=O)OC)n1.
What is the InChIKey of methyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate?
The InChIKey is ZMGAORCOQQFKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-11-4-5-8-6(13-9-5)3-7(10)12-2/h3-4H2,1-2H3.
What are the key properties of methyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate?
methyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate has a molecular weight of 186.17 g/mol, XLogP of -0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate is sourced from PubChem (CID 79474749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).