5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid

C5H3N5O4 — CID 112631887

IUPAC5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESNc1nonc1-c1nc(C(=O)O)no1
InChIInChI=1S/C5H3N5O4/c6-2-1(8-14-9-2)4-7-3(5(11)12)10-13-4/h(H2,6,9)(H,11,12)
InChIKeyKLNAMSZYJSWCMJ-UHFFFAOYSA-N
MW197.11 g/mol
LogP-0.60
Rot. Bonds2

About 5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid

5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 112631887) has the molecular formula C5H3N5O4 and a molecular weight of 197.11 g/mol. Its IUPAC name is 5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID112631887
Molecular FormulaC5H3N5O4
Molecular Weight197.11 g/mol
Exact Mass197.02
IUPAC Name5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESNc1nonc1-c1nc(C(=O)O)no1
InChIInChI=1S/C5H3N5O4/c6-2-1(8-14-9-2)4-7-3(5(11)12)10-13-4/h(H2,6,9)(H,11,12)
InChIKeyKLNAMSZYJSWCMJ-UHFFFAOYSA-N
XLogP-0.60
TPSA141.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.11
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid (CID 112631887) is 5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid is Nc1nonc1-c1nc(C(=O)O)no1.
What is the InChIKey of 5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is KLNAMSZYJSWCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N5O4/c6-2-1(8-14-9-2)4-7-3(5(11)12)10-13-4/h(H2,6,9)(H,11,12).
What are the key properties of 5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 197.11 g/mol, XLogP of -0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 112631887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).