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

C24H19N5O3 — CID 170847921

IUPAC2-[2-[4-(5,6-dimethoxybenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1cc2nn(-c3ccc(C=Cc4nnc(-c5ccccc5)o4)cc3)nc2cc1OC
InChIInChI=1S/C24H19N5O3/c1-30-21-14-19-20(15-22(21)31-2)28-29(27-19)18-11-8-16(9-12-18)10-13-23-25-26-24(32-23)17-6-4-3-5-7-17/h3-15H,1-2H3
InChIKeyPFDCRIDBXHLNFR-UHFFFAOYSA-N
MW425.45 g/mol
LogP4.66
Rot. Bonds6

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

2-[2-[4-(5,6-dimethoxybenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 170847921) has the molecular formula C24H19N5O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is 2-[2-[4-(5,6-dimethoxybenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-[4-(5,6-dimethoxybenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID170847921
Molecular FormulaC24H19N5O3
Molecular Weight425.45 g/mol
Exact Mass425.15
IUPAC Name2-[2-[4-(5,6-dimethoxybenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1cc2nn(-c3ccc(C=Cc4nnc(-c5ccccc5)o4)cc3)nc2cc1OC
InChIInChI=1S/C24H19N5O3/c1-30-21-14-19-20(15-22(21)31-2)28-29(27-19)18-11-8-16(9-12-18)10-13-23-25-26-24(32-23)17-6-4-3-5-7-17/h3-15H,1-2H3
InChIKeyPFDCRIDBXHLNFR-UHFFFAOYSA-N
XLogP4.66
TPSA88.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,4-dimethoxyphenyl)-5-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-1,3,4-oxadiazole
CID 155816653
2-(3-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3703705
2-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3170416
2-(4-tert-butylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 74660783
2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazole
CID 101351674
(E)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 80503596
1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-4-phenyltriazole
CID 175596970
2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 2729280
2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole
CID 59957450
3-(3,4-dimethoxyphenyl)-5-(2-phenylethenyl)-1,2,4-oxadiazole
CID 2994581
2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 19542453
2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazole
CID 102332924

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(5,6-dimethoxybenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-[4-(5,6-dimethoxybenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole (CID 170847921) is 2-[2-[4-(5,6-dimethoxybenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-[4-(5,6-dimethoxybenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-[4-(5,6-dimethoxybenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole is COc1cc2nn(-c3ccc(C=Cc4nnc(-c5ccccc5)o4)cc3)nc2cc1OC.
What is the InChIKey of 2-[2-[4-(5,6-dimethoxybenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is PFDCRIDBXHLNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3/c1-30-21-14-19-20(15-22(21)31-2)28-29(27-19)18-11-8-16(9-12-18)10-13-23-25-26-24(32-23)17-6-4-3-5-7-17/h3-15H,1-2H3.
What are the key properties of 2-[2-[4-(5,6-dimethoxybenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole?
2-[2-[4-(5,6-dimethoxybenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 425.45 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(5,6-dimethoxybenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 170847921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).