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

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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).