2-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole

C26H21BrF2N2O5 — CID 19542406

IUPAC2-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole
SMILESCOc1ccc(/C=C\c2nnc(-c3ccc(OC(F)F)c(OC)c3)o2)cc1COc1ccc(Br)cc1
InChIInChI=1S/C26H21BrF2N2O5/c1-32-21-10-3-16(13-18(21)15-34-20-8-6-19(27)7-9-20)4-12-24-30-31-25(36-24)17-5-11-22(35-26(28)29)23(14-17)33-2/h3-14,26H,15H2,1-2H3/b12-4-
InChIKeyIAWHDTIOVYGOQJ-QCDXTXTGSA-N
MW559.36 g/mol
LogP6.87
Rot. Bonds10

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

2-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole (PubChem CID 19542406) has the molecular formula C26H21BrF2N2O5 and a molecular weight of 559.36 g/mol. Its IUPAC name is 2-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole
PubChem CID19542406
Molecular FormulaC26H21BrF2N2O5
Molecular Weight559.36 g/mol
Exact Mass558.06
IUPAC Name2-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole
SMILESCOc1ccc(/C=C\c2nnc(-c3ccc(OC(F)F)c(OC)c3)o2)cc1COc1ccc(Br)cc1
InChIInChI=1S/C26H21BrF2N2O5/c1-32-21-10-3-16(13-18(21)15-34-20-8-6-19(27)7-9-20)4-12-24-30-31-25(36-24)17-5-11-22(35-26(28)29)23(14-17)33-2/h3-14,26H,15H2,1-2H3/b12-4-
InChIKeyIAWHDTIOVYGOQJ-QCDXTXTGSA-N
XLogP6.87
TPSA75.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.36
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-benzodioxol-5-yl)-5-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-1,3,4-oxadiazole
CID 19542407
2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 19542453
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 19554615
2-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole
CID 19542401
2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 19542455
(E)-3-[3-[(3-bromophenoxy)methyl]-4-methoxyphenyl]-1-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-en-1-one
CID 19543082
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 19550804
3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enoate
CID 4748250
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazole
CID 19552582
(E)-1-[3-(difluoromethoxy)phenyl]-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]prop-2-en-1-one
CID 19542725
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 19554513
3-[(4-bromophenoxy)methyl]-4-methoxyaniline
CID 43134652

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole (CID 19542406) is 2-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole is COc1ccc(/C=C\c2nnc(-c3ccc(OC(F)F)c(OC)c3)o2)cc1COc1ccc(Br)cc1.
What is the InChIKey of 2-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole?
The InChIKey is IAWHDTIOVYGOQJ-QCDXTXTGSA-N. The full InChI is InChI=1S/C26H21BrF2N2O5/c1-32-21-10-3-16(13-18(21)15-34-20-8-6-19(27)7-9-20)4-12-24-30-31-25(36-24)17-5-11-22(35-26(28)29)23(14-17)33-2/h3-14,26H,15H2,1-2H3/b12-4-.
What are the key properties of 2-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole?
2-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole has a molecular weight of 559.36 g/mol, XLogP of 6.87, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 19542406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).