[(E)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylprop-1-enyl]-methyldiazene

C19H18N4O2 — CID 135245768

IUPAC[(E)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylprop-1-enyl]-methyldiazene
SMILESC/N=N/C(=C(\C)c1ccccc1)c1nc(-c2ccccc2OC)no1
InChIInChI=1S/C19H18N4O2/c1-13(14-9-5-4-6-10-14)17(22-20-2)19-21-18(23-25-19)15-11-7-8-12-16(15)24-3/h4-12H,1-3H3/b17-13+,22-20+
InChIKeyQICRBYKCFKCNJZ-UGFLLLHASA-N
MW334.38 g/mol
LogP4.72
Rot. Bonds5

About [(E)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylprop-1-enyl]-methyldiazene

[(E)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylprop-1-enyl]-methyldiazene (PubChem CID 135245768) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is [(E)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylprop-1-enyl]-methyldiazene.

Molecular Properties

Compound Name[(E)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylprop-1-enyl]-methyldiazene
PubChem CID135245768
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name[(E)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylprop-1-enyl]-methyldiazene
SMILESC/N=N/C(=C(\C)c1ccccc1)c1nc(-c2ccccc2OC)no1
InChIInChI=1S/C19H18N4O2/c1-13(14-9-5-4-6-10-14)17(22-20-2)19-21-18(23-25-19)15-11-7-8-12-16(15)24-3/h4-12H,1-3H3/b17-13+,22-20+
InChIKeyQICRBYKCFKCNJZ-UGFLLLHASA-N
XLogP4.72
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(Z)-1-chloro-2-phenylethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9036804
[(E)-1-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-2-ylprop-1-enyl]-methyldiazene
CID 135246037
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 62594321
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 23008025
5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 102429088
3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 63773034
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63346270
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 55201236
5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9036931
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 115534402
N-cyclopropyl-3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 55096100
5-[(Z)-1-chloro-2-(6-methoxynaphthalen-2-yl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9037022

Frequently Asked Questions

What is the IUPAC name of [(E)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylprop-1-enyl]-methyldiazene?
The IUPAC name of [(E)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylprop-1-enyl]-methyldiazene (CID 135245768) is [(E)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylprop-1-enyl]-methyldiazene.
What is the SMILES notation for [(E)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylprop-1-enyl]-methyldiazene?
The canonical SMILES for [(E)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylprop-1-enyl]-methyldiazene is C/N=N/C(=C(\C)c1ccccc1)c1nc(-c2ccccc2OC)no1.
What is the InChIKey of [(E)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylprop-1-enyl]-methyldiazene?
The InChIKey is QICRBYKCFKCNJZ-UGFLLLHASA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13(14-9-5-4-6-10-14)17(22-20-2)19-21-18(23-25-19)15-11-7-8-12-16(15)24-3/h4-12H,1-3H3/b17-13+,22-20+.
What are the key properties of [(E)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylprop-1-enyl]-methyldiazene?
[(E)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylprop-1-enyl]-methyldiazene has a molecular weight of 334.38 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylprop-1-enyl]-methyldiazene is sourced from PubChem (CID 135245768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).