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

C20H17ClN4O — CID 71451317

IUPAC2-(4-chlorophenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(CCCCc3ccc4cccnc4n3)o2)cc1
InChIInChI=1S/C20H17ClN4O/c21-16-10-7-15(8-11-16)20-25-24-18(26-20)6-2-1-5-17-12-9-14-4-3-13-22-19(14)23-17/h3-4,7-13H,1-2,5-6H2
InChIKeyJCFJKQLQKRHRNS-UHFFFAOYSA-N
MW364.84 g/mol
LogP4.90
Rot. Bonds6

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

2-(4-chlorophenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole (PubChem CID 71451317) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
PubChem CID71451317
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name2-(4-chlorophenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(CCCCc3ccc4cccnc4n3)o2)cc1
InChIInChI=1S/C20H17ClN4O/c21-16-10-7-15(8-11-16)20-25-24-18(26-20)6-2-1-5-17-12-9-14-4-3-13-22-19(14)23-17/h3-4,7-13H,1-2,5-6H2
InChIKeyJCFJKQLQKRHRNS-UHFFFAOYSA-N
XLogP4.90
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 54.90
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole (CID 71451317) is 2-(4-chlorophenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole is Clc1ccc(-c2nnc(CCCCc3ccc4cccnc4n3)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole?
The InChIKey is JCFJKQLQKRHRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c21-16-10-7-15(8-11-16)20-25-24-18(26-20)6-2-1-5-17-12-9-14-4-3-13-22-19(14)23-17/h3-4,7-13H,1-2,5-6H2.
What are the key properties of 2-(4-chlorophenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole has a molecular weight of 364.84 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole is sourced from PubChem (CID 71451317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).