sodium;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;hydride

C7H11N2NaO3 — CID 175357428

IUPACsodium;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;hydride
SMILESCC(C)(C)c1noc(C(=O)O)n1.[H-].[Na+]
InChIInChI=1S/C7H10N2O3.Na.H/c1-7(2,3)6-8-4(5(10)11)12-9-6;;/h1-3H3,(H,10,11);;/q;+1;-1
InChIKeyOXHSNDDRAXDVDB-UHFFFAOYSA-N
MW194.17 g/mol
LogP-1.82
Rot. Bonds1

About sodium;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;hydride

sodium;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;hydride (PubChem CID 175357428) has the molecular formula C7H11N2NaO3 and a molecular weight of 194.17 g/mol. Its IUPAC name is sodium;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;hydride.

Molecular Properties

Compound Namesodium;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;hydride
PubChem CID175357428
Molecular FormulaC7H11N2NaO3
Molecular Weight194.17 g/mol
Exact Mass194.07
IUPAC Namesodium;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;hydride
SMILESCC(C)(C)c1noc(C(=O)O)n1.[H-].[Na+]
InChIInChI=1S/C7H10N2O3.Na.H/c1-7(2,3)6-8-4(5(10)11)12-9-6;;/h1-3H3,(H,10,11);;/q;+1;-1
InChIKeyOXHSNDDRAXDVDB-UHFFFAOYSA-N
XLogP-1.82
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 5-1.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-1,2,4-oxadiazole-5-carboxamide;ethane
CID 142291313
3-tert-butyl-N-methoxy-1,2,4-oxadiazole-5-carboxamide
CID 58336893
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 29078211
sodium 5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid
CID 169410143
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentanoic acid
CID 43446819
fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate
CID 169164116
potassium;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;hydride
CID 175462514
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
CID 43442635
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylamino]propanoic acid
CID 43466334
5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid
CID 19786334
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 63346826
2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetic acid
CID 79608202

Frequently Asked Questions

What is the IUPAC name of sodium;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;hydride?
The IUPAC name of sodium;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;hydride (CID 175357428) is sodium;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;hydride.
What is the SMILES notation for sodium;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;hydride?
The canonical SMILES for sodium;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;hydride is CC(C)(C)c1noc(C(=O)O)n1.[H-].[Na+].
What is the InChIKey of sodium;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;hydride?
The InChIKey is OXHSNDDRAXDVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3.Na.H/c1-7(2,3)6-8-4(5(10)11)12-9-6;;/h1-3H3,(H,10,11);;/q;+1;-1.
What are the key properties of sodium;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;hydride?
sodium;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;hydride has a molecular weight of 194.17 g/mol, XLogP of -1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;hydride is sourced from PubChem (CID 175357428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).