methyl 2-(1,2,4-oxadiazol-5-yl)acetate

C5H6N2O3 — CID 141187117

IUPACmethyl 2-(1,2,4-oxadiazol-5-yl)acetate
SMILESCOC(=O)Cc1ncno1
InChIInChI=1S/C5H6N2O3/c1-9-5(8)2-4-6-3-7-10-4/h3H,2H2,1H3
InChIKeyHJYDILRNIJCQEW-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.21
Rot. Bonds2

About methyl 2-(1,2,4-oxadiazol-5-yl)acetate

methyl 2-(1,2,4-oxadiazol-5-yl)acetate (PubChem CID 141187117) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is methyl 2-(1,2,4-oxadiazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1,2,4-oxadiazol-5-yl)acetate
PubChem CID141187117
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Namemethyl 2-(1,2,4-oxadiazol-5-yl)acetate
SMILESCOC(=O)Cc1ncno1
InChIInChI=1S/C5H6N2O3/c1-9-5(8)2-4-6-3-7-10-4/h3H,2H2,1H3
InChIKeyHJYDILRNIJCQEW-UHFFFAOYSA-N
XLogP-0.21
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,4-Oxadiazol-5-yl propanoic acid
CID 129854980
2-(1,2,4-Oxadiazol-5-yl)acetic acid
CID 21312954
2-(1,2,4-Oxadiazol-5-yl)acetamide
CID 54075435
5-(2-Methoxyethyl)-1,2,4-oxadiazole
CID 54484233
5-(1-Methoxypropan-2-yl)-1,2,4-oxadiazole
CID 67275781
Ethyl 2-(1,2,4-oxadiazol-5-yl)acetate
CID 101262711
2-(1,2,4-Oxadiazol-5-yl)ethyl 3-aminopropanoate
CID 156106370
2-(1,2,4-Oxadiazol-5-yl)ethyl 2-nitrosoacetate
CID 156106371
2-(1,2,4-Oxadiazol-5-yl)ethyl 3-nitrosopropanoate
CID 156106373
2-(1,2,4-Oxadiazol-5-yl)ethyl 3-(diaminomethylideneamino)propanoate
CID 156106449
CID 156641893
CID 156641893
CID 156641961
CID 156641961

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,2,4-oxadiazol-5-yl)acetate?
The IUPAC name of methyl 2-(1,2,4-oxadiazol-5-yl)acetate (CID 141187117) is methyl 2-(1,2,4-oxadiazol-5-yl)acetate.
What is the SMILES notation for methyl 2-(1,2,4-oxadiazol-5-yl)acetate?
The canonical SMILES for methyl 2-(1,2,4-oxadiazol-5-yl)acetate is COC(=O)Cc1ncno1.
What is the InChIKey of methyl 2-(1,2,4-oxadiazol-5-yl)acetate?
The InChIKey is HJYDILRNIJCQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c1-9-5(8)2-4-6-3-7-10-4/h3H,2H2,1H3.
What are the key properties of methyl 2-(1,2,4-oxadiazol-5-yl)acetate?
methyl 2-(1,2,4-oxadiazol-5-yl)acetate has a molecular weight of 142.11 g/mol, XLogP of -0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,2,4-oxadiazol-5-yl)acetate is sourced from PubChem (CID 141187117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).