2-[4-(4-chlorophenyl)oxan-4-yl]-5-quinolin-2-yl-1,3,4-oxadiazole

C22H18ClN3O2 — CID 56804005

IUPAC2-[4-(4-chlorophenyl)oxan-4-yl]-5-quinolin-2-yl-1,3,4-oxadiazole
SMILESClc1ccc(C2(c3nnc(-c4ccc5ccccc5n4)o3)CCOCC2)cc1
InChIInChI=1S/C22H18ClN3O2/c23-17-8-6-16(7-9-17)22(11-13-27-14-12-22)21-26-25-20(28-21)19-10-5-15-3-1-2-4-18(15)24-19/h1-10H,11-14H2
InChIKeyIFENUQQNMWVNCP-UHFFFAOYSA-N
MW391.86 g/mol
LogP5.03
Rot. Bonds3

About 2-[4-(4-chlorophenyl)oxan-4-yl]-5-quinolin-2-yl-1,3,4-oxadiazole

2-[4-(4-chlorophenyl)oxan-4-yl]-5-quinolin-2-yl-1,3,4-oxadiazole (PubChem CID 56804005) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)oxan-4-yl]-5-quinolin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)oxan-4-yl]-5-quinolin-2-yl-1,3,4-oxadiazole
PubChem CID56804005
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC Name2-[4-(4-chlorophenyl)oxan-4-yl]-5-quinolin-2-yl-1,3,4-oxadiazole
SMILESClc1ccc(C2(c3nnc(-c4ccc5ccccc5n4)o3)CCOCC2)cc1
InChIInChI=1S/C22H18ClN3O2/c23-17-8-6-16(7-9-17)22(11-13-27-14-12-22)21-26-25-20(28-21)19-10-5-15-3-1-2-4-18(15)24-19/h1-10H,11-14H2
InChIKeyIFENUQQNMWVNCP-UHFFFAOYSA-N
XLogP5.03
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.86
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-chlorophenyl)oxan-4-yl]-5-quinolin-2-yl-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-(4-chlorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 56804099
2-[4-(4-chlorophenyl)oxan-4-yl]-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
CID 56804055
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole
CID 56804043
2-[4-(1,3-benzodioxol-5-yl)oxan-4-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 56804029
2-(4-phenyloxan-4-yl)-5-propan-2-yl-1,3,4-oxadiazole
CID 56784751
2-[4-(4-chlorophenyl)oxan-4-yl]-5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazole
CID 56804076
2-(2-fluorophenyl)-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole
CID 56784934
1-[5-[4-(4-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862203
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-quinolin-2-yl-1,3,4-oxadiazole
CID 21100103
N-cyclohexyl-5-quinolin-2-yl-1,3,4-oxadiazol-2-amine
CID 24938624
2-(oxolan-2-yl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole
CID 56784754
2-[4-(3-chlorophenyl)oxan-4-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole
CID 56804083

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)oxan-4-yl]-5-quinolin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(4-chlorophenyl)oxan-4-yl]-5-quinolin-2-yl-1,3,4-oxadiazole (CID 56804005) is 2-[4-(4-chlorophenyl)oxan-4-yl]-5-quinolin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(4-chlorophenyl)oxan-4-yl]-5-quinolin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(4-chlorophenyl)oxan-4-yl]-5-quinolin-2-yl-1,3,4-oxadiazole is Clc1ccc(C2(c3nnc(-c4ccc5ccccc5n4)o3)CCOCC2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)oxan-4-yl]-5-quinolin-2-yl-1,3,4-oxadiazole?
The InChIKey is IFENUQQNMWVNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c23-17-8-6-16(7-9-17)22(11-13-27-14-12-22)21-26-25-20(28-21)19-10-5-15-3-1-2-4-18(15)24-19/h1-10H,11-14H2.
What are the key properties of 2-[4-(4-chlorophenyl)oxan-4-yl]-5-quinolin-2-yl-1,3,4-oxadiazole?
2-[4-(4-chlorophenyl)oxan-4-yl]-5-quinolin-2-yl-1,3,4-oxadiazole has a molecular weight of 391.86 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)oxan-4-yl]-5-quinolin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 56804005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).