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

C25H19ClN4O — CID 71456641

IUPAC2-[4-(3-chlorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole
SMILESClc1cccc(-c2ccc(-c3nnc(CCCc4ccc5cccnc5n4)o3)cc2)c1
InChIInChI=1S/C25H19ClN4O/c26-21-6-1-4-20(16-21)17-9-11-19(12-10-17)25-30-29-23(31-25)8-2-7-22-14-13-18-5-3-15-27-24(18)28-22/h1,3-6,9-16H,2,7-8H2
InChIKeyARQMZUQHYGRGKL-UHFFFAOYSA-N
MW426.91 g/mol
LogP6.18
Rot. Bonds6

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

2-[4-(3-chlorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole (PubChem CID 71456641) has the molecular formula C25H19ClN4O and a molecular weight of 426.91 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole
PubChem CID71456641
Molecular FormulaC25H19ClN4O
Molecular Weight426.91 g/mol
Exact Mass426.12
IUPAC Name2-[4-(3-chlorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole
SMILESClc1cccc(-c2ccc(-c3nnc(CCCc4ccc5cccnc5n4)o3)cc2)c1
InChIInChI=1S/C25H19ClN4O/c26-21-6-1-4-20(16-21)17-9-11-19(12-10-17)25-30-29-23(31-25)8-2-7-22-14-13-18-5-3-15-27-24(18)28-22/h1,3-6,9-16H,2,7-8H2
InChIKeyARQMZUQHYGRGKL-UHFFFAOYSA-N
XLogP6.18
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.91
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3-chlorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-Chloro-3-(trifluoromethyl)phenyl]-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
CID 71451318
2-[4-(3-Chloro-4-fluorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole
CID 71454870
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-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-Chlorophenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
CID 71451317
2-Phenyl-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole
CID 10893238
Ethane;2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
CID 169205480
2-[4-(4-Fluoro-3-methylphenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole
CID 170211624
2-[4-Methyl-3-(trifluoromethyl)phenyl]-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
CID 170211631
2-(4-Chlorophenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole
CID 11090139

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(3-chlorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole (CID 71456641) is 2-[4-(3-chlorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(3-chlorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(3-chlorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole is Clc1cccc(-c2ccc(-c3nnc(CCCc4ccc5cccnc5n4)o3)cc2)c1.
What is the InChIKey of 2-[4-(3-chlorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole?
The InChIKey is ARQMZUQHYGRGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O/c26-21-6-1-4-20(16-21)17-9-11-19(12-10-17)25-30-29-23(31-25)8-2-7-22-14-13-18-5-3-15-27-24(18)28-22/h1,3-6,9-16H,2,7-8H2.
What are the key properties of 2-[4-(3-chlorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole?
2-[4-(3-chlorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole has a molecular weight of 426.91 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole is sourced from PubChem (CID 71456641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).