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

C5H5N2NaO3 — CID 135389336

IUPACsodium 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetate
SMILESCc1nnc(CC(=O)[O-])o1.[Na+]
InChIInChI=1S/C5H6N2O3.Na/c1-3-6-7-4(10-3)2-5(8)9;/h2H2,1H3,(H,8,9);/q;+1/p-1
InChIKeyNOBBPQBTUNAUCH-UHFFFAOYSA-M
MW164.10 g/mol
LogP-4.33
Rot. Bonds2

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

sodium 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetate (PubChem CID 135389336) has the molecular formula C5H5N2NaO3 and a molecular weight of 164.10 g/mol. Its IUPAC name is sodium 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetate.

Molecular Properties

Compound Namesodium 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetate
PubChem CID135389336
Molecular FormulaC5H5N2NaO3
Molecular Weight164.10 g/mol
Exact Mass164.02
IUPAC Namesodium 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetate
SMILESCc1nnc(CC(=O)[O-])o1.[Na+]
InChIInChI=1S/C5H6N2O3.Na/c1-3-6-7-4(10-3)2-5(8)9;/h2H2,1H3,(H,8,9);/q;+1/p-1
InChIKeyNOBBPQBTUNAUCH-UHFFFAOYSA-M
XLogP-4.33
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.10
LogP ≤ 5-4.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetate?
The IUPAC name of sodium 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetate (CID 135389336) is sodium 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetate.
What is the SMILES notation for sodium 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetate?
The canonical SMILES for sodium 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetate is Cc1nnc(CC(=O)[O-])o1.[Na+].
What is the InChIKey of sodium 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetate?
The InChIKey is NOBBPQBTUNAUCH-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H6N2O3.Na/c1-3-6-7-4(10-3)2-5(8)9;/h2H2,1H3,(H,8,9);/q;+1/p-1.
What are the key properties of sodium 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetate?
sodium 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetate has a molecular weight of 164.10 g/mol, XLogP of -4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetate is sourced from PubChem (CID 135389336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).