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

C21H20N4O — CID 170211630

IUPAC2-(4-methylphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(CCCCc3ccc4cccnc4n3)o2)cc1
InChIInChI=1S/C21H20N4O/c1-15-8-10-17(11-9-15)21-25-24-19(26-21)7-3-2-6-18-13-12-16-5-4-14-22-20(16)23-18/h4-5,8-14H,2-3,6-7H2,1H3
InChIKeyCXIASJZZYKCOSR-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.55
Rot. Bonds6

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

2-(4-methylphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole (PubChem CID 170211630) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
PubChem CID170211630
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2-(4-methylphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(CCCCc3ccc4cccnc4n3)o2)cc1
InChIInChI=1S/C21H20N4O/c1-15-8-10-17(11-9-15)21-25-24-19(26-21)7-3-2-6-18-13-12-16-5-4-14-22-20(16)23-18/h4-5,8-14H,2-3,6-7H2,1H3
InChIKeyCXIASJZZYKCOSR-UHFFFAOYSA-N
XLogP4.55
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)-5-nonyl-1,3,4-oxadiazole
CID 102384865
2-pentyl-1,8-naphthyridine
CID 11481079
ethane;5-(1,8-naphthyridin-2-yl)pentanoic acid
CID 162436158
N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanesulfonamide
CID 110321465
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide
CID 18107156
methyl 5-(1,8-naphthyridin-2-yl)pentanoate
CID 11447926
2-(2-chloroethyl)-5-quinolin-6-yl-1,3,4-oxadiazole
CID 62850239
1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]pyrrolidine-2,5-dione
CID 17035023
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
N-(4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53162164
2-[(4-methylphenyl)methyl]-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 142315891
2-ethylsulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 35766151

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole (CID 170211630) is 2-(4-methylphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole is Cc1ccc(-c2nnc(CCCCc3ccc4cccnc4n3)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole?
The InChIKey is CXIASJZZYKCOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-15-8-10-17(11-9-15)21-25-24-19(26-21)7-3-2-6-18-13-12-16-5-4-14-22-20(16)23-18/h4-5,8-14H,2-3,6-7H2,1H3.
What are the key properties of 2-(4-methylphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole?
2-(4-methylphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole has a molecular weight of 344.42 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole is sourced from PubChem (CID 170211630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).