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

C8H9LiN2O3 — CID 134690749

IUPAClithium 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate
SMILESO=C([O-])CCc1nnc(C2CC2)o1.[Li+]
InChIInChI=1S/C8H10N2O3.Li/c11-7(12)4-3-6-9-10-8(13-6)5-1-2-5;/h5H,1-4H2,(H,11,12);/q;+1/p-1
InChIKeyUROXAXGARMOEEJ-UHFFFAOYSA-M
MW188.11 g/mol
LogP-3.37
Rot. Bonds4

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

lithium 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate (PubChem CID 134690749) has the molecular formula C8H9LiN2O3 and a molecular weight of 188.11 g/mol. Its IUPAC name is lithium 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate.

Molecular Properties

Compound Namelithium 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate
PubChem CID134690749
Molecular FormulaC8H9LiN2O3
Molecular Weight188.11 g/mol
Exact Mass188.08
IUPAC Namelithium 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate
SMILESO=C([O-])CCc1nnc(C2CC2)o1.[Li+]
InChIInChI=1S/C8H10N2O3.Li/c11-7(12)4-3-6-9-10-8(13-6)5-1-2-5;/h5H,1-4H2,(H,11,12);/q;+1/p-1
InChIKeyUROXAXGARMOEEJ-UHFFFAOYSA-M
XLogP-3.37
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 5-3.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate?
The IUPAC name of lithium 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate (CID 134690749) is lithium 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate.
What is the SMILES notation for lithium 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate?
The canonical SMILES for lithium 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate is O=C([O-])CCc1nnc(C2CC2)o1.[Li+].
What is the InChIKey of lithium 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate?
The InChIKey is UROXAXGARMOEEJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10N2O3.Li/c11-7(12)4-3-6-9-10-8(13-6)5-1-2-5;/h5H,1-4H2,(H,11,12);/q;+1/p-1.
What are the key properties of lithium 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate?
lithium 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate has a molecular weight of 188.11 g/mol, XLogP of -3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate is sourced from PubChem (CID 134690749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).