2-methyl-5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3,4-oxadiazole

C14H10F3N3O3 — CID 167796668

IUPAC2-methyl-5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3,4-oxadiazole
SMILESCc1nnc(COc2ccc3cc(OC(F)(F)F)ccc3n2)o1
InChIInChI=1S/C14H10F3N3O3/c1-8-19-20-13(22-8)7-21-12-5-2-9-6-10(23-14(15,16)17)3-4-11(9)18-12/h2-6H,7H2,1H3
InChIKeyKNPBTZQCUXKSGP-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.40
Rot. Bonds4

About 2-methyl-5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3,4-oxadiazole

2-methyl-5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3,4-oxadiazole (PubChem CID 167796668) has the molecular formula C14H10F3N3O3 and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-methyl-5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3,4-oxadiazole
PubChem CID167796668
Molecular FormulaC14H10F3N3O3
Molecular Weight325.25 g/mol
Exact Mass325.07
IUPAC Name2-methyl-5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3,4-oxadiazole
SMILESCc1nnc(COc2ccc3cc(OC(F)(F)F)ccc3n2)o1
InChIInChI=1S/C14H10F3N3O3/c1-8-19-20-13(22-8)7-21-12-5-2-9-6-10(23-14(15,16)17)3-4-11(9)18-12/h2-6H,7H2,1H3
InChIKeyKNPBTZQCUXKSGP-UHFFFAOYSA-N
XLogP3.40
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethyl-5-(quinolin-3-yloxymethyl)-1,3,4-oxadiazole
CID 99824492
2-Ethyl-5-[(2-methylquinolin-4-yl)oxymethyl]-1,3,4-oxadiazole
CID 99835668
2-(2-methylquinolin-8-yl)oxy-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 24389978
2-Cyclobutyl-5-[(8-fluoro-2-methylquinolin-4-yl)oxymethyl]-1,3,4-oxadiazole
CID 84598643
1-(3-(Quinolin-2-yloxy)pyrrolidin-1-yl)-2-(3-(trifluoromethyl)phenoxy)ethanone
CID 92090824
2-Ethyl-5-[[6-iodo-2-(trifluoromethyl)quinolin-4-yl]oxymethyl]-1,3,4-oxadiazole
CID 121555354
2-[[6-Iodo-2-(trifluoromethyl)quinolin-4-yl]oxymethyl]-5-methyl-1,3,4-oxadiazole
CID 121563324
2-[[6-Chloro-2-(difluoromethyl)quinolin-4-yl]oxymethyl]-5-ethyl-1,3,4-oxadiazole
CID 122141027
5-[[6-(Trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3-oxazole
CID 167912457
2-[[6-Iodo-2-(trifluoromethyl)quinolin-4-yl]oxymethyl]-4,5-dimethyl-1,3-oxazole
CID 167934590
2-Methyl-8-[(5-phenyl-1,3,4-oxadiazol-2-YL)methoxy]quinoline
CID 2993570
2-Propan-2-yl-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole
CID 126801860

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3,4-oxadiazole (CID 167796668) is 2-methyl-5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3,4-oxadiazole is Cc1nnc(COc2ccc3cc(OC(F)(F)F)ccc3n2)o1.
What is the InChIKey of 2-methyl-5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3,4-oxadiazole?
The InChIKey is KNPBTZQCUXKSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O3/c1-8-19-20-13(22-8)7-21-12-5-2-9-6-10(23-14(15,16)17)3-4-11(9)18-12/h2-6H,7H2,1H3.
What are the key properties of 2-methyl-5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3,4-oxadiazole?
2-methyl-5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3,4-oxadiazole has a molecular weight of 325.25 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 167796668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).