potassium 5-(2-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate

C7H7KN2O3 — CID 75481336

IUPACpotassium 5-(2-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate
SMILESCC1CC1c1nc(C(=O)[O-])no1.[K+]
InChIInChI=1S/C7H8N2O3.K/c1-3-2-4(3)6-8-5(7(10)11)9-12-6;/h3-4H,2H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyMQJIUXPLPFRTFZ-UHFFFAOYSA-M
MW206.24 g/mol
LogP-3.44
Rot. Bonds2

About potassium 5-(2-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate

potassium 5-(2-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate (PubChem CID 75481336) has the molecular formula C7H7KN2O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is potassium 5-(2-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Namepotassium 5-(2-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate
PubChem CID75481336
Molecular FormulaC7H7KN2O3
Molecular Weight206.24 g/mol
Exact Mass206.01
IUPAC Namepotassium 5-(2-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate
SMILESCC1CC1c1nc(C(=O)[O-])no1.[K+]
InChIInChI=1S/C7H8N2O3.K/c1-3-2-4(3)6-8-5(7(10)11)9-12-6;/h3-4H,2H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyMQJIUXPLPFRTFZ-UHFFFAOYSA-M
XLogP-3.44
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-3.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[(1R,2R)-2-methylcyclopropyl]-1,2,4-oxadiazole-3-carboxylate
CID 95380682
potassium 5-amino-1,2,4-oxadiazole-3-carboxylate
CID 178200930
lithium 5-methyl-1,2,4-oxadiazole-3-carboxylate
CID 134690810
5-(2-methoxycyclopropyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 165484650
5-(2-methylcyclopropyl)-3-(methylsulfinylmethyl)-1,2,4-oxadiazole
CID 130634390
4-methyl-1-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354121
2-[(1R,2S)-2-methylcyclopropyl]-1,3-oxazole-4-carboxylic acid
CID 94379394
2-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
CID 60791232
3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525244
5-[(1R,2R)-2-methylcyclopropyl]-3-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole
CID 100677190
2-[3-[(1S,2R)-2-methylcyclopropyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 124509489
5-(2-azabicyclo[2.1.1]hexan-5-yl)-1,2,4-oxadiazole-3-carboxamide
CID 130820084

Frequently Asked Questions

What is the IUPAC name of potassium 5-(2-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of potassium 5-(2-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate (CID 75481336) is potassium 5-(2-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for potassium 5-(2-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for potassium 5-(2-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate is CC1CC1c1nc(C(=O)[O-])no1.[K+].
What is the InChIKey of potassium 5-(2-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is MQJIUXPLPFRTFZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8N2O3.K/c1-3-2-4(3)6-8-5(7(10)11)9-12-6;/h3-4H,2H2,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of potassium 5-(2-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate?
potassium 5-(2-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 206.24 g/mol, XLogP of -3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-(2-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 75481336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).