2-[(4-bromophenyl)methyl]-5-[2-(2-methoxyphenyl)ethenyl]-1,3,4-oxadiazole

C18H15BrN2O2 — CID 142316002

IUPAC2-[(4-bromophenyl)methyl]-5-[2-(2-methoxyphenyl)ethenyl]-1,3,4-oxadiazole
SMILESCOc1ccccc1C=Cc1nnc(Cc2ccc(Br)cc2)o1
InChIInChI=1S/C18H15BrN2O2/c1-22-16-5-3-2-4-14(16)8-11-17-20-21-18(23-17)12-13-6-9-15(19)10-7-13/h2-11H,12H2,1H3
InChIKeyDQLCCGLCZCJZCB-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.60
Rot. Bonds5

About 2-[(4-bromophenyl)methyl]-5-[2-(2-methoxyphenyl)ethenyl]-1,3,4-oxadiazole

2-[(4-bromophenyl)methyl]-5-[2-(2-methoxyphenyl)ethenyl]-1,3,4-oxadiazole (PubChem CID 142316002) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-5-[2-(2-methoxyphenyl)ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-5-[2-(2-methoxyphenyl)ethenyl]-1,3,4-oxadiazole
PubChem CID142316002
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name2-[(4-bromophenyl)methyl]-5-[2-(2-methoxyphenyl)ethenyl]-1,3,4-oxadiazole
SMILESCOc1ccccc1C=Cc1nnc(Cc2ccc(Br)cc2)o1
InChIInChI=1S/C18H15BrN2O2/c1-22-16-5-3-2-4-14(16)8-11-17-20-21-18(23-17)12-13-6-9-15(19)10-7-13/h2-11H,12H2,1H3
InChIKeyDQLCCGLCZCJZCB-UHFFFAOYSA-N
XLogP4.60
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)methyl]-5-[(E)-2-(2-phenylphenyl)ethenyl]-1,3,4-oxadiazole
CID 142315928
2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-5-methyl-1,3,4-oxadiazole
CID 89105623
2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 19542455
2-benzyl-5-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 17483144
5-[2-(2-methoxyphenyl)ethenyl]-3-methyl-1,2,4-oxadiazole
CID 4278176
4-[(4-bromophenyl)methylidene]-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazol-5-one
CID 6990000
1-(2-fluoroethenyl)-2-methoxybenzene
CID 134862998
(E)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 16564214
2-[2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chloro-4-methylphenyl)methyl]-1,3,4-oxadiazole
CID 142315972
2-[(3-bromophenyl)methyl]-5-[(E)-2-(4-fluoro-2-piperidin-1-ylphenyl)ethenyl]-1,3,4-oxadiazole
CID 142315785
3-[[5-[(E)-2-(2-pyrrol-1-ylphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]methyl]benzenethiol
CID 142316156
methyl 4-[[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 146021024

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-5-[2-(2-methoxyphenyl)ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-bromophenyl)methyl]-5-[2-(2-methoxyphenyl)ethenyl]-1,3,4-oxadiazole (CID 142316002) is 2-[(4-bromophenyl)methyl]-5-[2-(2-methoxyphenyl)ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-5-[2-(2-methoxyphenyl)ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-5-[2-(2-methoxyphenyl)ethenyl]-1,3,4-oxadiazole is COc1ccccc1C=Cc1nnc(Cc2ccc(Br)cc2)o1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-5-[2-(2-methoxyphenyl)ethenyl]-1,3,4-oxadiazole?
The InChIKey is DQLCCGLCZCJZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-22-16-5-3-2-4-14(16)8-11-17-20-21-18(23-17)12-13-6-9-15(19)10-7-13/h2-11H,12H2,1H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-5-[2-(2-methoxyphenyl)ethenyl]-1,3,4-oxadiazole?
2-[(4-bromophenyl)methyl]-5-[2-(2-methoxyphenyl)ethenyl]-1,3,4-oxadiazole has a molecular weight of 371.23 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-5-[2-(2-methoxyphenyl)ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 142316002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).