potassium 5-benzyl-1,3,4-oxadiazole-2-carboxylate

C10H7KN2O3 — CID 75537338

IUPACpotassium 5-benzyl-1,3,4-oxadiazole-2-carboxylate
SMILESO=C([O-])c1nnc(Cc2ccccc2)o1.[K+]
InChIInChI=1S/C10H8N2O3.K/c13-10(14)9-12-11-8(15-9)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,13,14);/q;+1/p-1
InChIKeyOLEZRSPSWNGCCC-UHFFFAOYSA-M
MW242.28 g/mol
LogP-2.97
Rot. Bonds3

About potassium 5-benzyl-1,3,4-oxadiazole-2-carboxylate

potassium 5-benzyl-1,3,4-oxadiazole-2-carboxylate (PubChem CID 75537338) has the molecular formula C10H7KN2O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is potassium 5-benzyl-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Namepotassium 5-benzyl-1,3,4-oxadiazole-2-carboxylate
PubChem CID75537338
Molecular FormulaC10H7KN2O3
Molecular Weight242.28 g/mol
Exact Mass242.01
IUPAC Namepotassium 5-benzyl-1,3,4-oxadiazole-2-carboxylate
SMILESO=C([O-])c1nnc(Cc2ccccc2)o1.[K+]
InChIInChI=1S/C10H8N2O3.K/c13-10(14)9-12-11-8(15-9)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,13,14);/q;+1/p-1
InChIKeyOLEZRSPSWNGCCC-UHFFFAOYSA-M
XLogP-2.97
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-2.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium 5-benzyl-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of potassium 5-benzyl-1,3,4-oxadiazole-2-carboxylate (CID 75537338) is potassium 5-benzyl-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for potassium 5-benzyl-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for potassium 5-benzyl-1,3,4-oxadiazole-2-carboxylate is O=C([O-])c1nnc(Cc2ccccc2)o1.[K+].
What is the InChIKey of potassium 5-benzyl-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is OLEZRSPSWNGCCC-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8N2O3.K/c13-10(14)9-12-11-8(15-9)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,13,14);/q;+1/p-1.
What are the key properties of potassium 5-benzyl-1,3,4-oxadiazole-2-carboxylate?
potassium 5-benzyl-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 242.28 g/mol, XLogP of -2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-benzyl-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 75537338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).