2-cyclobutyl-5-[(8-fluoro-2-methylquinolin-4-yl)oxymethyl]-1,3,4-oxadiazole

C17H16FN3O2 — CID 84598643

IUPAC2-cyclobutyl-5-[(8-fluoro-2-methylquinolin-4-yl)oxymethyl]-1,3,4-oxadiazole
SMILESCc1cc(OCc2nnc(C3CCC3)o2)c2cccc(F)c2n1
InChIInChI=1S/C17H16FN3O2/c1-10-8-14(12-6-3-7-13(18)16(12)19-10)22-9-15-20-21-17(23-15)11-4-2-5-11/h3,6-8,11H,2,4-5,9H2,1H3
InChIKeyRTUKSEXTINFDKZ-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.91
Rot. Bonds4

About 2-cyclobutyl-5-[(8-fluoro-2-methylquinolin-4-yl)oxymethyl]-1,3,4-oxadiazole

2-cyclobutyl-5-[(8-fluoro-2-methylquinolin-4-yl)oxymethyl]-1,3,4-oxadiazole (PubChem CID 84598643) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 2-cyclobutyl-5-[(8-fluoro-2-methylquinolin-4-yl)oxymethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclobutyl-5-[(8-fluoro-2-methylquinolin-4-yl)oxymethyl]-1,3,4-oxadiazole
PubChem CID84598643
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name2-cyclobutyl-5-[(8-fluoro-2-methylquinolin-4-yl)oxymethyl]-1,3,4-oxadiazole
SMILESCc1cc(OCc2nnc(C3CCC3)o2)c2cccc(F)c2n1
InChIInChI=1S/C17H16FN3O2/c1-10-8-14(12-6-3-7-13(18)16(12)19-10)22-9-15-20-21-17(23-15)11-4-2-5-11/h3,6-8,11H,2,4-5,9H2,1H3
InChIKeyRTUKSEXTINFDKZ-UHFFFAOYSA-N
XLogP3.91
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-[(8-fluoro-2-methylquinolin-4-yl)oxymethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclobutyl-5-[(8-fluoro-2-methylquinolin-4-yl)oxymethyl]-1,3,4-oxadiazole (CID 84598643) is 2-cyclobutyl-5-[(8-fluoro-2-methylquinolin-4-yl)oxymethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclobutyl-5-[(8-fluoro-2-methylquinolin-4-yl)oxymethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclobutyl-5-[(8-fluoro-2-methylquinolin-4-yl)oxymethyl]-1,3,4-oxadiazole is Cc1cc(OCc2nnc(C3CCC3)o2)c2cccc(F)c2n1.
What is the InChIKey of 2-cyclobutyl-5-[(8-fluoro-2-methylquinolin-4-yl)oxymethyl]-1,3,4-oxadiazole?
The InChIKey is RTUKSEXTINFDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-10-8-14(12-6-3-7-13(18)16(12)19-10)22-9-15-20-21-17(23-15)11-4-2-5-11/h3,6-8,11H,2,4-5,9H2,1H3.
What are the key properties of 2-cyclobutyl-5-[(8-fluoro-2-methylquinolin-4-yl)oxymethyl]-1,3,4-oxadiazole?
2-cyclobutyl-5-[(8-fluoro-2-methylquinolin-4-yl)oxymethyl]-1,3,4-oxadiazole has a molecular weight of 313.33 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-[(8-fluoro-2-methylquinolin-4-yl)oxymethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 84598643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).