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

C23H18F2N2O4 — CID 19550341

IUPAC2-[4-(difluoromethoxy)phenyl]-5-[4-[(4-methoxyphenoxy)methyl]phenyl]-1,3,4-oxadiazole
SMILESCOc1ccc(OCc2ccc(-c3nnc(-c4ccc(OC(F)F)cc4)o3)cc2)cc1
InChIInChI=1S/C23H18F2N2O4/c1-28-18-10-12-19(13-11-18)29-14-15-2-4-16(5-3-15)21-26-27-22(31-21)17-6-8-20(9-7-17)30-23(24)25/h2-13,23H,14H2,1H3
InChIKeyHKWIIIHXSSUOGZ-UHFFFAOYSA-N
MW424.40 g/mol
LogP5.59
Rot. Bonds8

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

2-[4-(difluoromethoxy)phenyl]-5-[4-[(4-methoxyphenoxy)methyl]phenyl]-1,3,4-oxadiazole (PubChem CID 19550341) has the molecular formula C23H18F2N2O4 and a molecular weight of 424.40 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-5-[4-[(4-methoxyphenoxy)methyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-5-[4-[(4-methoxyphenoxy)methyl]phenyl]-1,3,4-oxadiazole
PubChem CID19550341
Molecular FormulaC23H18F2N2O4
Molecular Weight424.40 g/mol
Exact Mass424.12
IUPAC Name2-[4-(difluoromethoxy)phenyl]-5-[4-[(4-methoxyphenoxy)methyl]phenyl]-1,3,4-oxadiazole
SMILESCOc1ccc(OCc2ccc(-c3nnc(-c4ccc(OC(F)F)cc4)o3)cc2)cc1
InChIInChI=1S/C23H18F2N2O4/c1-28-18-10-12-19(13-11-18)29-14-15-2-4-16(5-3-15)21-26-27-22(31-21)17-6-8-20(9-7-17)30-23(24)25/h2-13,23H,14H2,1H3
InChIKeyHKWIIIHXSSUOGZ-UHFFFAOYSA-N
XLogP5.59
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.40
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-[4-[(3-methoxyphenoxy)methyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 19542172
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013
2-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 102032251
2-[3-[(2-bromophenoxy)methyl]phenyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 19542620
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 19550804
2-[[4-(difluoromethoxy)phenyl]methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 60558848
2-[4-(difluoromethoxy)phenyl]-5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3,4-oxadiazole
CID 112787109
4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
CID 26051370
(2S)-2-amino-3-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanoic acid
CID 162650291

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-5-[4-[(4-methoxyphenoxy)methyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-5-[4-[(4-methoxyphenoxy)methyl]phenyl]-1,3,4-oxadiazole (CID 19550341) is 2-[4-(difluoromethoxy)phenyl]-5-[4-[(4-methoxyphenoxy)methyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-5-[4-[(4-methoxyphenoxy)methyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-5-[4-[(4-methoxyphenoxy)methyl]phenyl]-1,3,4-oxadiazole is COc1ccc(OCc2ccc(-c3nnc(-c4ccc(OC(F)F)cc4)o3)cc2)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-5-[4-[(4-methoxyphenoxy)methyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is HKWIIIHXSSUOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O4/c1-28-18-10-12-19(13-11-18)29-14-15-2-4-16(5-3-15)21-26-27-22(31-21)17-6-8-20(9-7-17)30-23(24)25/h2-13,23H,14H2,1H3.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-5-[4-[(4-methoxyphenoxy)methyl]phenyl]-1,3,4-oxadiazole?
2-[4-(difluoromethoxy)phenyl]-5-[4-[(4-methoxyphenoxy)methyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 424.40 g/mol, XLogP of 5.59, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-5-[4-[(4-methoxyphenoxy)methyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 19550341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).