2-[4-[(3-methoxyphenoxy)methyl]phenyl]-5-phenyl-1,3,4-oxadiazole

C22H18N2O3 — CID 19542172

IUPAC2-[4-[(3-methoxyphenoxy)methyl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1cccc(OCc2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1
InChIInChI=1S/C22H18N2O3/c1-25-19-8-5-9-20(14-19)26-15-16-10-12-18(13-11-16)22-24-23-21(27-22)17-6-3-2-4-7-17/h2-14H,15H2,1H3
InChIKeyZVQVCXQJMGFZCQ-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.99
Rot. Bonds6

About 2-[4-[(3-methoxyphenoxy)methyl]phenyl]-5-phenyl-1,3,4-oxadiazole

2-[4-[(3-methoxyphenoxy)methyl]phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 19542172) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-[4-[(3-methoxyphenoxy)methyl]phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[(3-methoxyphenoxy)methyl]phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID19542172
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name2-[4-[(3-methoxyphenoxy)methyl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1cccc(OCc2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1
InChIInChI=1S/C22H18N2O3/c1-25-19-8-5-9-20(14-19)26-15-16-10-12-18(13-11-16)22-24-23-21(27-22)17-6-3-2-4-7-17/h2-14H,15H2,1H3
InChIKeyZVQVCXQJMGFZCQ-UHFFFAOYSA-N
XLogP4.99
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-5-[4-[(3-methoxyphenoxy)methyl]phenyl]-1,3,4-oxadiazole
CID 19542184
2-[4-[(4-methoxyphenoxy)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 19550338
2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110655896
2-[(3-ethoxyphenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 110655825
2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 687081
2-[4-(difluoromethoxy)phenyl]-5-[4-[(4-methoxyphenoxy)methyl]phenyl]-1,3,4-oxadiazole
CID 19550341
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 11348131
2-(4-carbazol-9-ylphenyl)-5-[3-[(4-ethenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole
CID 67516225
methyl 3-nitro-5-[5-[4-(phenoxymethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzoate
CID 2650274
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene
CID 59734480

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methoxyphenoxy)methyl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[(3-methoxyphenoxy)methyl]phenyl]-5-phenyl-1,3,4-oxadiazole (CID 19542172) is 2-[4-[(3-methoxyphenoxy)methyl]phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[(3-methoxyphenoxy)methyl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[(3-methoxyphenoxy)methyl]phenyl]-5-phenyl-1,3,4-oxadiazole is COc1cccc(OCc2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1.
What is the InChIKey of 2-[4-[(3-methoxyphenoxy)methyl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is ZVQVCXQJMGFZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-25-19-8-5-9-20(14-19)26-15-16-10-12-18(13-11-16)22-24-23-21(27-22)17-6-3-2-4-7-17/h2-14H,15H2,1H3.
What are the key properties of 2-[4-[(3-methoxyphenoxy)methyl]phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[4-[(3-methoxyphenoxy)methyl]phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 358.40 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methoxyphenoxy)methyl]phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 19542172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).