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

C14H15N7O3 — CID 3108793

IUPACN-[(4-methoxyphenyl)methyl]-4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine
SMILESCOc1ccc(CN(/N=N/c2nonc2C)c2nonc2C)cc1
InChIInChI=1S/C14H15N7O3/c1-9-13(18-23-16-9)15-20-21(14-10(2)17-24-19-14)8-11-4-6-12(22-3)7-5-11/h4-7H,8H2,1-3H3/b20-15+
InChIKeyHPIJPFPWFUTKSK-HMMYKYKNSA-N
MW329.32 g/mol
LogP2.78
Rot. Bonds6

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

N-[(4-methoxyphenyl)methyl]-4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine (PubChem CID 3108793) has the molecular formula C14H15N7O3 and a molecular weight of 329.32 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine
PubChem CID3108793
Molecular FormulaC14H15N7O3
Molecular Weight329.32 g/mol
Exact Mass329.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine
SMILESCOc1ccc(CN(/N=N/c2nonc2C)c2nonc2C)cc1
InChIInChI=1S/C14H15N7O3/c1-9-13(18-23-16-9)15-20-21(14-10(2)17-24-19-14)8-11-4-6-12(22-3)7-5-11/h4-7H,8H2,1-3H3/b20-15+
InChIKeyHPIJPFPWFUTKSK-HMMYKYKNSA-N
XLogP2.78
TPSA115.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine (CID 3108793) is N-[(4-methoxyphenyl)methyl]-4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine is COc1ccc(CN(/N=N/c2nonc2C)c2nonc2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine?
The InChIKey is HPIJPFPWFUTKSK-HMMYKYKNSA-N. The full InChI is InChI=1S/C14H15N7O3/c1-9-13(18-23-16-9)15-20-21(14-10(2)17-24-19-14)8-11-4-6-12(22-3)7-5-11/h4-7H,8H2,1-3H3/b20-15+.
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine?
N-[(4-methoxyphenyl)methyl]-4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine has a molecular weight of 329.32 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 3108793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).