2-[2-[4-(5-methoxy-6-methylbenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole

C24H19N5O2 — CID 170847900

IUPAC2-[2-[4-(5-methoxy-6-methylbenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1cc2nn(-c3ccc(C=Cc4nnc(-c5ccccc5)o4)cc3)nc2cc1C
InChIInChI=1S/C24H19N5O2/c1-16-14-20-21(15-22(16)30-2)28-29(27-20)19-11-8-17(9-12-19)10-13-23-25-26-24(31-23)18-6-4-3-5-7-18/h3-15H,1-2H3
InChIKeyNYOBRZMTFSXRIS-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.96
Rot. Bonds5

About 2-[2-[4-(5-methoxy-6-methylbenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole

2-[2-[4-(5-methoxy-6-methylbenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 170847900) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 2-[2-[4-(5-methoxy-6-methylbenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-[4-(5-methoxy-6-methylbenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID170847900
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name2-[2-[4-(5-methoxy-6-methylbenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1cc2nn(-c3ccc(C=Cc4nnc(-c5ccccc5)o4)cc3)nc2cc1C
InChIInChI=1S/C24H19N5O2/c1-16-14-20-21(15-22(16)30-2)28-29(27-20)19-11-8-17(9-12-19)10-13-23-25-26-24(31-23)18-6-4-3-5-7-18/h3-15H,1-2H3
InChIKeyNYOBRZMTFSXRIS-UHFFFAOYSA-N
XLogP4.96
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-[4-(5-methoxy-6-methylbenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole with MolForge

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Related Compounds

2H-1-Benzopyran-2-one, 7-(5-butoxy-6-methyl-2H-benzotriazol-2-yl)-3-phenyl-
CID 634637
2-(2,1,3-Benzothiadiazol-5-yl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 2815748
6-[5-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)-1H-1,2,3-benzotriazole
CID 68663267
2-(2H-benzotriazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole
CID 68664428
2-[2-[4-(5,6-Dimethoxybenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole
CID 170847921
2-(5-Methoxy-6-methylbenzotriazol-2-yl)-5-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]benzenesulfonic acid
CID 170848233
Ethyl 4-(5-butoxy-6-methylbenzotriazol-2-yl)benzoate
CID 13598488
4-(5-Methoxy-6-methylbenzotriazol-2-yl)benzoyl chloride
CID 20556634
[4-(Benzotriazol-2-yl)phenyl] 4-(benzotriazol-2-yl)benzoate
CID 21390068
4-(5-Butoxy-6-methylbenzotriazol-2-yl)-2-hydroxybenzaldehyde
CID 88720809
Methyl 2-(4-octoxyphenyl)benzotriazole-5-carboxylate
CID 140254588
2-(2-Methylprop-2-enoyloxy)ethyl 2-(3,4-dimethoxyphenyl)benzotriazole-5-carboxylate
CID 140254601

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(5-methoxy-6-methylbenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-[4-(5-methoxy-6-methylbenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole (CID 170847900) is 2-[2-[4-(5-methoxy-6-methylbenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-[4-(5-methoxy-6-methylbenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-[4-(5-methoxy-6-methylbenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole is COc1cc2nn(-c3ccc(C=Cc4nnc(-c5ccccc5)o4)cc3)nc2cc1C.
What is the InChIKey of 2-[2-[4-(5-methoxy-6-methylbenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is NYOBRZMTFSXRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-16-14-20-21(15-22(16)30-2)28-29(27-20)19-11-8-17(9-12-19)10-13-23-25-26-24(31-23)18-6-4-3-5-7-18/h3-15H,1-2H3.
What are the key properties of 2-[2-[4-(5-methoxy-6-methylbenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole?
2-[2-[4-(5-methoxy-6-methylbenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 409.45 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(5-methoxy-6-methylbenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 170847900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).