3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-5-carboxamide

C6H5N5O3 — CID 16765258

IUPAC3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1nonc1-c1noc(C(N)=O)n1
InChIInChI=1S/C6H5N5O3/c1-2-3(10-14-9-2)5-8-6(4(7)12)13-11-5/h1H3,(H2,7,12)
InChIKeyRWIQUZFYONFFRJ-UHFFFAOYSA-N
MW195.14 g/mol
LogP-0.47
Rot. Bonds2

About 3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-5-carboxamide

3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 16765258) has the molecular formula C6H5N5O3 and a molecular weight of 195.14 g/mol. Its IUPAC name is 3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID16765258
Molecular FormulaC6H5N5O3
Molecular Weight195.14 g/mol
Exact Mass195.04
IUPAC Name3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1nonc1-c1noc(C(N)=O)n1
InChIInChI=1S/C6H5N5O3/c1-2-3(10-14-9-2)5-8-6(4(7)12)13-11-5/h1H3,(H2,7,12)
InChIKeyRWIQUZFYONFFRJ-UHFFFAOYSA-N
XLogP-0.47
TPSA120.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-5-carboxamide (CID 16765258) is 3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-5-carboxamide is Cc1nonc1-c1noc(C(N)=O)n1.
What is the InChIKey of 3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is RWIQUZFYONFFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O3/c1-2-3(10-14-9-2)5-8-6(4(7)12)13-11-5/h1H3,(H2,7,12).
What are the key properties of 3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-5-carboxamide?
3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 195.14 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 16765258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).