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

C6H7LiN2O3 — CID 122164304

IUPAClithium 3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoate
SMILESCc1nnc(CCC(=O)[O-])o1.[Li+]
InChIInChI=1S/C6H8N2O3.Li/c1-4-7-8-5(11-4)2-3-6(9)10;/h2-3H2,1H3,(H,9,10);/q;+1/p-1
InChIKeyHNSJGFFYBQBPNA-UHFFFAOYSA-M
MW162.07 g/mol
LogP-3.94
Rot. Bonds3

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

lithium 3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoate (PubChem CID 122164304) has the molecular formula C6H7LiN2O3 and a molecular weight of 162.07 g/mol. Its IUPAC name is lithium 3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoate.

Molecular Properties

Compound Namelithium 3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoate
PubChem CID122164304
Molecular FormulaC6H7LiN2O3
Molecular Weight162.07 g/mol
Exact Mass162.06
IUPAC Namelithium 3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoate
SMILESCc1nnc(CCC(=O)[O-])o1.[Li+]
InChIInChI=1S/C6H8N2O3.Li/c1-4-7-8-5(11-4)2-3-6(9)10;/h2-3H2,1H3,(H,9,10);/q;+1/p-1
InChIKeyHNSJGFFYBQBPNA-UHFFFAOYSA-M
XLogP-3.94
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.07
LogP ≤ 5-3.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium 3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoate?
The IUPAC name of lithium 3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoate (CID 122164304) is lithium 3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoate.
What is the SMILES notation for lithium 3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoate?
The canonical SMILES for lithium 3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoate is Cc1nnc(CCC(=O)[O-])o1.[Li+].
What is the InChIKey of lithium 3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoate?
The InChIKey is HNSJGFFYBQBPNA-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N2O3.Li/c1-4-7-8-5(11-4)2-3-6(9)10;/h2-3H2,1H3,(H,9,10);/q;+1/p-1.
What are the key properties of lithium 3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoate?
lithium 3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoate has a molecular weight of 162.07 g/mol, XLogP of -3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoate is sourced from PubChem (CID 122164304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).