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

C16H11F3N2O3 — CID 19554513

IUPAC2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(-c3ccccc3F)o2)ccc1OC(F)F
InChIInChI=1S/C16H11F3N2O3/c1-22-13-8-9(6-7-12(13)23-16(18)19)14-20-21-15(24-14)10-4-2-3-5-11(10)17/h2-8,16H,1H3
InChIKeyIJDYSQLCUHGOLT-UHFFFAOYSA-N
MW336.27 g/mol
LogP4.15
Rot. Bonds5

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

2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 19554513) has the molecular formula C16H11F3N2O3 and a molecular weight of 336.27 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
PubChem CID19554513
Molecular FormulaC16H11F3N2O3
Molecular Weight336.27 g/mol
Exact Mass336.07
IUPAC Name2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(-c3ccccc3F)o2)ccc1OC(F)F
InChIInChI=1S/C16H11F3N2O3/c1-22-13-8-9(6-7-12(13)23-16(18)19)14-20-21-15(24-14)10-4-2-3-5-11(10)17/h2-8,16H,1H3
InChIKeyIJDYSQLCUHGOLT-UHFFFAOYSA-N
XLogP4.15
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 19554615
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazole
CID 19552582
2-(2-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 863660
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
5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326293
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-(2-fluorophenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole
CID 863664
2-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol
CID 135674693
2-[[4-(difluoromethoxy)phenyl]methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 60558848
2-(3,4-dimethoxyphenyl)-5-[(1R)-1-phenylethyl]sulfanyl-1,3,4-oxadiazole
CID 9362117

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole (CID 19554513) is 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole is COc1cc(-c2nnc(-c3ccccc3F)o2)ccc1OC(F)F.
What is the InChIKey of 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is IJDYSQLCUHGOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O3/c1-22-13-8-9(6-7-12(13)23-16(18)19)14-20-21-15(24-14)10-4-2-3-5-11(10)17/h2-8,16H,1H3.
What are the key properties of 2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 336.27 g/mol, XLogP of 4.15, 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-(2-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 19554513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).