4-(5-amino-1,2,4-oxadiazol-3-yl)-N-[(4-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine

C12H12N6O3 — CID 16762423

IUPAC4-(5-amino-1,2,4-oxadiazol-3-yl)-N-[(4-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine
SMILESCOc1ccc(CNc2nonc2-c2noc(N)n2)cc1
InChIInChI=1S/C12H12N6O3/c1-19-8-4-2-7(3-5-8)6-14-10-9(16-21-18-10)11-15-12(13)20-17-11/h2-5H,6H2,1H3,(H,14,18)(H2,13,15,17)
InChIKeyXLMKNYNFWFQNCP-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.32
Rot. Bonds5

About 4-(5-amino-1,2,4-oxadiazol-3-yl)-N-[(4-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine

4-(5-amino-1,2,4-oxadiazol-3-yl)-N-[(4-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine (PubChem CID 16762423) has the molecular formula C12H12N6O3 and a molecular weight of 288.27 g/mol. Its IUPAC name is 4-(5-amino-1,2,4-oxadiazol-3-yl)-N-[(4-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(5-amino-1,2,4-oxadiazol-3-yl)-N-[(4-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine
PubChem CID16762423
Molecular FormulaC12H12N6O3
Molecular Weight288.27 g/mol
Exact Mass288.10
IUPAC Name4-(5-amino-1,2,4-oxadiazol-3-yl)-N-[(4-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine
SMILESCOc1ccc(CNc2nonc2-c2noc(N)n2)cc1
InChIInChI=1S/C12H12N6O3/c1-19-8-4-2-7(3-5-8)6-14-10-9(16-21-18-10)11-15-12(13)20-17-11/h2-5H,6H2,1H3,(H,14,18)(H2,13,15,17)
InChIKeyXLMKNYNFWFQNCP-UHFFFAOYSA-N
XLogP1.32
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,2,4-oxadiazol-3-yl)-N-[(4-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(5-amino-1,2,4-oxadiazol-3-yl)-N-[(4-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine (CID 16762423) is 4-(5-amino-1,2,4-oxadiazol-3-yl)-N-[(4-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(5-amino-1,2,4-oxadiazol-3-yl)-N-[(4-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(5-amino-1,2,4-oxadiazol-3-yl)-N-[(4-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine is COc1ccc(CNc2nonc2-c2noc(N)n2)cc1.
What is the InChIKey of 4-(5-amino-1,2,4-oxadiazol-3-yl)-N-[(4-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine?
The InChIKey is XLMKNYNFWFQNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O3/c1-19-8-4-2-7(3-5-8)6-14-10-9(16-21-18-10)11-15-12(13)20-17-11/h2-5H,6H2,1H3,(H,14,18)(H2,13,15,17).
What are the key properties of 4-(5-amino-1,2,4-oxadiazol-3-yl)-N-[(4-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine?
4-(5-amino-1,2,4-oxadiazol-3-yl)-N-[(4-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine has a molecular weight of 288.27 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,2,4-oxadiazol-3-yl)-N-[(4-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 16762423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).