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

C21H19FN4O2 — CID 170211633

IUPAC2-(4-fluoro-3-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(CCCCc3ccc4cccnc4n3)o2)ccc1F
InChIInChI=1S/C21H19FN4O2/c1-27-18-13-15(9-11-17(18)22)21-26-25-19(28-21)7-3-2-6-16-10-8-14-5-4-12-23-20(14)24-16/h4-5,8-13H,2-3,6-7H2,1H3
InChIKeyBPMZWJAQQJMSFP-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.39
Rot. Bonds7

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

2-(4-fluoro-3-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole (PubChem CID 170211633) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluoro-3-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
PubChem CID170211633
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name2-(4-fluoro-3-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(CCCCc3ccc4cccnc4n3)o2)ccc1F
InChIInChI=1S/C21H19FN4O2/c1-27-18-13-15(9-11-17(18)22)21-26-25-19(28-21)7-3-2-6-16-10-8-14-5-4-12-23-20(14)24-16/h4-5,8-13H,2-3,6-7H2,1H3
InChIKeyBPMZWJAQQJMSFP-UHFFFAOYSA-N
XLogP4.39
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-fluoro-3-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

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
3-(6-Methoxy-3-pyridyl)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyridin-2-amine
CID 53312317
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-(1,8-Naphthyridin-2-yl)butyl]-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 71454871
2-[4-Fluoro-3-(trifluoromethoxy)phenyl]-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
CID 71456643
US11345676, Example 5
CID 135347778
US11345676, Example 8
CID 135347903
US11345676, Example 7
CID 135348076
US11345676, Example 25
CID 135348089
(5-((4-fluorobenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(3-methoxyphenyl)methanone
CID 3494351

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole (CID 170211633) is 2-(4-fluoro-3-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluoro-3-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluoro-3-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole is COc1cc(-c2nnc(CCCCc3ccc4cccnc4n3)o2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole?
The InChIKey is BPMZWJAQQJMSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-27-18-13-15(9-11-17(18)22)21-26-25-19(28-21)7-3-2-6-16-10-8-14-5-4-12-23-20(14)24-16/h4-5,8-13H,2-3,6-7H2,1H3.
What are the key properties of 2-(4-fluoro-3-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole?
2-(4-fluoro-3-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole has a molecular weight of 378.41 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole is sourced from PubChem (CID 170211633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).