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

C21H20N4O2 — CID 170211697

IUPAC2-(4-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(CCCCc3ccc4cccnc4n3)o2)cc1
InChIInChI=1S/C21H20N4O2/c1-26-18-12-9-16(10-13-18)21-25-24-19(27-21)7-3-2-6-17-11-8-15-5-4-14-22-20(15)23-17/h4-5,8-14H,2-3,6-7H2,1H3
InChIKeyGWCBSVYHXNCBFK-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.25
Rot. Bonds7

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

2-(4-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole (PubChem CID 170211697) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
PubChem CID170211697
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-(4-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(CCCCc3ccc4cccnc4n3)o2)cc1
InChIInChI=1S/C21H20N4O2/c1-26-18-12-9-16(10-13-18)21-25-24-19(27-21)7-3-2-6-17-11-8-15-5-4-14-22-20(15)23-17/h4-5,8-14H,2-3,6-7H2,1H3
InChIKeyGWCBSVYHXNCBFK-UHFFFAOYSA-N
XLogP4.25
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.25
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
3-(6-Methoxy-3-pyridyl)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyridin-2-amine
CID 53312317
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-(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
2-[[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
CID 53259286
2-(4-Methoxyphenyl)-5-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 45851506
(4-methoxyphenyl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 118735341
4-methoxy-N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]benzamide
CID 122184275

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole (CID 170211697) is 2-(4-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole is COc1ccc(-c2nnc(CCCCc3ccc4cccnc4n3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole?
The InChIKey is GWCBSVYHXNCBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-26-18-12-9-16(10-13-18)21-25-24-19(27-21)7-3-2-6-17-11-8-15-5-4-14-22-20(15)23-17/h4-5,8-14H,2-3,6-7H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole has a molecular weight of 360.42 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole is sourced from PubChem (CID 170211697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).