(3-methyl-1,2,4-oxadiazol-5-yl) propanoate

C6H8N2O3 — CID 21312932

IUPAC(3-methyl-1,2,4-oxadiazol-5-yl) propanoate
SMILESCCC(=O)Oc1nc(C)no1
InChIInChI=1S/C6H8N2O3/c1-3-5(9)10-6-7-4(2)8-11-6/h3H2,1-2H3
InChIKeyBSVUSXGZCBVQCK-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.69
Rot. Bonds2

About (3-methyl-1,2,4-oxadiazol-5-yl) propanoate

(3-methyl-1,2,4-oxadiazol-5-yl) propanoate (PubChem CID 21312932) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is (3-methyl-1,2,4-oxadiazol-5-yl) propanoate.

Molecular Properties

Compound Name(3-methyl-1,2,4-oxadiazol-5-yl) propanoate
PubChem CID21312932
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name(3-methyl-1,2,4-oxadiazol-5-yl) propanoate
SMILESCCC(=O)Oc1nc(C)no1
InChIInChI=1S/C6H8N2O3/c1-3-5(9)10-6-7-4(2)8-11-6/h3H2,1-2H3
InChIKeyBSVUSXGZCBVQCK-UHFFFAOYSA-N
XLogP0.69
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl) propanoate?
The IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl) propanoate (CID 21312932) is (3-methyl-1,2,4-oxadiazol-5-yl) propanoate.
What is the SMILES notation for (3-methyl-1,2,4-oxadiazol-5-yl) propanoate?
The canonical SMILES for (3-methyl-1,2,4-oxadiazol-5-yl) propanoate is CCC(=O)Oc1nc(C)no1.
What is the InChIKey of (3-methyl-1,2,4-oxadiazol-5-yl) propanoate?
The InChIKey is BSVUSXGZCBVQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-3-5(9)10-6-7-4(2)8-11-6/h3H2,1-2H3.
What are the key properties of (3-methyl-1,2,4-oxadiazol-5-yl) propanoate?
(3-methyl-1,2,4-oxadiazol-5-yl) propanoate has a molecular weight of 156.14 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-oxadiazol-5-yl) propanoate is sourced from PubChem (CID 21312932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).