2-[[6-chloro-2-(difluoromethyl)quinolin-4-yl]oxymethyl]-5-ethyl-1,3,4-oxadiazole

C15H12ClF2N3O2 — CID 122141027

IUPAC2-[[6-chloro-2-(difluoromethyl)quinolin-4-yl]oxymethyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(COc2cc(C(F)F)nc3ccc(Cl)cc23)o1
InChIInChI=1S/C15H12ClF2N3O2/c1-2-13-20-21-14(23-13)7-22-12-6-11(15(17)18)19-10-4-3-8(16)5-9(10)12/h3-6,15H,2,7H2,1H3
InChIKeyWLCUYSCXZNDXTO-UHFFFAOYSA-N
MW339.73 g/mol
LogP4.35
Rot. Bonds5

About 2-[[6-chloro-2-(difluoromethyl)quinolin-4-yl]oxymethyl]-5-ethyl-1,3,4-oxadiazole

2-[[6-chloro-2-(difluoromethyl)quinolin-4-yl]oxymethyl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 122141027) has the molecular formula C15H12ClF2N3O2 and a molecular weight of 339.73 g/mol. Its IUPAC name is 2-[[6-chloro-2-(difluoromethyl)quinolin-4-yl]oxymethyl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[6-chloro-2-(difluoromethyl)quinolin-4-yl]oxymethyl]-5-ethyl-1,3,4-oxadiazole
PubChem CID122141027
Molecular FormulaC15H12ClF2N3O2
Molecular Weight339.73 g/mol
Exact Mass339.06
IUPAC Name2-[[6-chloro-2-(difluoromethyl)quinolin-4-yl]oxymethyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(COc2cc(C(F)F)nc3ccc(Cl)cc23)o1
InChIInChI=1S/C15H12ClF2N3O2/c1-2-13-20-21-14(23-13)7-22-12-6-11(15(17)18)19-10-4-3-8(16)5-9(10)12/h3-6,15H,2,7H2,1H3
InChIKeyWLCUYSCXZNDXTO-UHFFFAOYSA-N
XLogP4.35
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.73
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-2-(difluoromethyl)quinolin-4-yl]oxymethyl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[6-chloro-2-(difluoromethyl)quinolin-4-yl]oxymethyl]-5-ethyl-1,3,4-oxadiazole (CID 122141027) is 2-[[6-chloro-2-(difluoromethyl)quinolin-4-yl]oxymethyl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[6-chloro-2-(difluoromethyl)quinolin-4-yl]oxymethyl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[6-chloro-2-(difluoromethyl)quinolin-4-yl]oxymethyl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(COc2cc(C(F)F)nc3ccc(Cl)cc23)o1.
What is the InChIKey of 2-[[6-chloro-2-(difluoromethyl)quinolin-4-yl]oxymethyl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is WLCUYSCXZNDXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3O2/c1-2-13-20-21-14(23-13)7-22-12-6-11(15(17)18)19-10-4-3-8(16)5-9(10)12/h3-6,15H,2,7H2,1H3.
What are the key properties of 2-[[6-chloro-2-(difluoromethyl)quinolin-4-yl]oxymethyl]-5-ethyl-1,3,4-oxadiazole?
2-[[6-chloro-2-(difluoromethyl)quinolin-4-yl]oxymethyl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 339.73 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-2-(difluoromethyl)quinolin-4-yl]oxymethyl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 122141027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).