4-amino-N-methyl-N-(4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide

C11H12N4O2 — CID 62688016

IUPAC4-amino-N-methyl-N-(4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1ccc(N(C)C(=O)c2nonc2N)cc1
InChIInChI=1S/C11H12N4O2/c1-7-3-5-8(6-4-7)15(2)11(16)9-10(12)14-17-13-9/h3-6H,1-2H3,(H2,12,14)
InChIKeyDJFFHNAYCIVWJV-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.24
Rot. Bonds2

About 4-amino-N-methyl-N-(4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-methyl-N-(4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62688016) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID62688016
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name4-amino-N-methyl-N-(4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1ccc(N(C)C(=O)c2nonc2N)cc1
InChIInChI=1S/C11H12N4O2/c1-7-3-5-8(6-4-7)15(2)11(16)9-10(12)14-17-13-9/h3-6H,1-2H3,(H2,12,14)
InChIKeyDJFFHNAYCIVWJV-UHFFFAOYSA-N
XLogP1.24
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide (CID 62688016) is 4-amino-N-methyl-N-(4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide is Cc1ccc(N(C)C(=O)c2nonc2N)cc1.
What is the InChIKey of 4-amino-N-methyl-N-(4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is DJFFHNAYCIVWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-3-5-8(6-4-7)15(2)11(16)9-10(12)14-17-13-9/h3-6H,1-2H3,(H2,12,14).
What are the key properties of 4-amino-N-methyl-N-(4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-methyl-N-(4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62688016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).