2-[4-(1,8-naphthyridin-2-yl)butyl]-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole

C21H17F3N4O2 — CID 71454871

IUPAC2-[4-(1,8-naphthyridin-2-yl)butyl]-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(-c2nnc(CCCCc3ccc4cccnc4n3)o2)cc1
InChIInChI=1S/C21H17F3N4O2/c22-21(23,24)30-17-11-8-15(9-12-17)20-28-27-18(29-20)6-2-1-5-16-10-7-14-4-3-13-25-19(14)26-16/h3-4,7-13H,1-2,5-6H2
InChIKeyUCRVGGIDZFOMMW-UHFFFAOYSA-N
MW414.39 g/mol
LogP5.14
Rot. Bonds7

About 2-[4-(1,8-naphthyridin-2-yl)butyl]-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole

2-[4-(1,8-naphthyridin-2-yl)butyl]-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole (PubChem CID 71454871) has the molecular formula C21H17F3N4O2 and a molecular weight of 414.39 g/mol. Its IUPAC name is 2-[4-(1,8-naphthyridin-2-yl)butyl]-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(1,8-naphthyridin-2-yl)butyl]-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
PubChem CID71454871
Molecular FormulaC21H17F3N4O2
Molecular Weight414.39 g/mol
Exact Mass414.13
IUPAC Name2-[4-(1,8-naphthyridin-2-yl)butyl]-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(-c2nnc(CCCCc3ccc4cccnc4n3)o2)cc1
InChIInChI=1S/C21H17F3N4O2/c22-21(23,24)30-17-11-8-15(9-12-17)20-28-27-18(29-20)6-2-1-5-16-10-7-14-4-3-13-25-19(14)26-16/h3-4,7-13H,1-2,5-6H2
InChIKeyUCRVGGIDZFOMMW-UHFFFAOYSA-N
XLogP5.14
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.39
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-{5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl}butyl)-4-(1,8-naphthyridin-2-yl)butanamide
CID 73755126
2-(4-{5-[3-Chloro-4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl}butyl)-1,8-naphthyridine
CID 71449523
2-[3,4-Bis(trifluoromethyl)phenyl]-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
CID 71456642
2-[3-(1,8-Naphthyridin-2-yl)propyl]-5-[4-[3-(trifluoromethyl)phenyl]phenyl]-1,3,4-oxadiazole
CID 71458497
2-(4-Pyridin-2-ylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 162673871
2-[4-Fluoro-3-(trifluoromethyl)phenyl]-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
CID 71449524
2-[4-(1,8-Naphthyridin-2-yl)butyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 71451316
2-[4-Fluoro-3-(trifluoromethoxy)phenyl]-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
CID 71456643
[4-(7-Methoxypyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 139466587
2-(4-Methoxyphenyl)-5-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 45851506
4-methoxy-N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]benzamide
CID 122184275
2-(3,4-dimethoxyphenyl)-5-[(E)-2-(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)ethenyl]-1,3,4-oxadiazole
CID 156020934

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,8-naphthyridin-2-yl)butyl]-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(1,8-naphthyridin-2-yl)butyl]-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole (CID 71454871) is 2-[4-(1,8-naphthyridin-2-yl)butyl]-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(1,8-naphthyridin-2-yl)butyl]-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(1,8-naphthyridin-2-yl)butyl]-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole is FC(F)(F)Oc1ccc(-c2nnc(CCCCc3ccc4cccnc4n3)o2)cc1.
What is the InChIKey of 2-[4-(1,8-naphthyridin-2-yl)butyl]-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole?
The InChIKey is UCRVGGIDZFOMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O2/c22-21(23,24)30-17-11-8-15(9-12-17)20-28-27-18(29-20)6-2-1-5-16-10-7-14-4-3-13-25-19(14)26-16/h3-4,7-13H,1-2,5-6H2.
What are the key properties of 2-[4-(1,8-naphthyridin-2-yl)butyl]-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole?
2-[4-(1,8-naphthyridin-2-yl)butyl]-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole has a molecular weight of 414.39 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,8-naphthyridin-2-yl)butyl]-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 71454871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).