2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole

C17H14F2N2O3 — CID 19554615

IUPAC2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(-c3ccc(C)cc3)o2)ccc1OC(F)F
InChIInChI=1S/C17H14F2N2O3/c1-10-3-5-11(6-4-10)15-20-21-16(24-15)12-7-8-13(23-17(18)19)14(9-12)22-2/h3-9,17H,1-2H3
InChIKeyUKEZVMVSPKAVIT-UHFFFAOYSA-N
MW332.31 g/mol
LogP4.32
Rot. Bonds5

About 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole

2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 19554615) has the molecular formula C17H14F2N2O3 and a molecular weight of 332.31 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
PubChem CID19554615
Molecular FormulaC17H14F2N2O3
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC Name2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(-c3ccc(C)cc3)o2)ccc1OC(F)F
InChIInChI=1S/C17H14F2N2O3/c1-10-3-5-11(6-4-10)15-20-21-16(24-15)12-7-8-13(23-17(18)19)14(9-12)22-2/h3-9,17H,1-2H3
InChIKeyUKEZVMVSPKAVIT-UHFFFAOYSA-N
XLogP4.32
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 19554513
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazole
CID 19552582
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 19550804
2-[(3,4-diethoxyphenyl)methyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole
CID 19542580
2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole
CID 17022457
2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771479
2-(3,4-dimethoxyphenyl)-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,4-oxadiazole
CID 55390132
2-[[4-(difluoromethoxy)phenyl]methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 60558848
5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326293
[6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-yl]oxy-trimethylsilane
CID 91742628
2-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole
CID 19542406
2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
CID 95909464

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole (CID 19554615) is 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole is COc1cc(-c2nnc(-c3ccc(C)cc3)o2)ccc1OC(F)F.
What is the InChIKey of 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is UKEZVMVSPKAVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3/c1-10-3-5-11(6-4-10)15-20-21-16(24-15)12-7-8-13(23-17(18)19)14(9-12)22-2/h3-9,17H,1-2H3.
What are the key properties of 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 332.31 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 19554615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).