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

C25H18ClFN4O — CID 71454870

IUPAC2-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2ccc(-c3nnc(CCCc4ccc5cccnc5n4)o3)cc2)cc1Cl
InChIInChI=1S/C25H18ClFN4O/c26-21-15-19(11-13-22(21)27)16-6-8-18(9-7-16)25-31-30-23(32-25)5-1-4-20-12-10-17-3-2-14-28-24(17)29-20/h2-3,6-15H,1,4-5H2
InChIKeyFNQGVMZOLBAJFA-UHFFFAOYSA-N
MW444.90 g/mol
LogP6.31
Rot. Bonds6

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

2-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole (PubChem CID 71454870) has the molecular formula C25H18ClFN4O and a molecular weight of 444.90 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole
PubChem CID71454870
Molecular FormulaC25H18ClFN4O
Molecular Weight444.90 g/mol
Exact Mass444.12
IUPAC Name2-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2ccc(-c3nnc(CCCc4ccc5cccnc5n4)o3)cc2)cc1Cl
InChIInChI=1S/C25H18ClFN4O/c26-21-15-19(11-13-22(21)27)16-6-8-18(9-7-16)25-31-30-23(32-25)5-1-4-20-12-10-17-3-2-14-28-24(17)29-20/h2-3,6-15H,1,4-5H2
InChIKeyFNQGVMZOLBAJFA-UHFFFAOYSA-N
XLogP6.31
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.90
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3-chloro-4-fluorophenyl)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-Chlorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole
CID 71456641
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
2-(5-chloro-2-fluorophenyl)-4-[5-ethenyl-4-[(Z)-prop-1-enyl]furan-3-yl]-1,8-naphthyridine
CID 89520309
1-[4-[5-[5-(6-Chloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone
CID 118378116
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole (CID 71454870) is 2-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole is Fc1ccc(-c2ccc(-c3nnc(CCCc4ccc5cccnc5n4)o3)cc2)cc1Cl.
What is the InChIKey of 2-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole?
The InChIKey is FNQGVMZOLBAJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClFN4O/c26-21-15-19(11-13-22(21)27)16-6-8-18(9-7-16)25-31-30-23(32-25)5-1-4-20-12-10-17-3-2-14-28-24(17)29-20/h2-3,6-15H,1,4-5H2.
What are the key properties of 2-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole?
2-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole has a molecular weight of 444.90 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole is sourced from PubChem (CID 71454870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).