2-[(3-chlorophenyl)methyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole

C24H17ClN2O3 — CID 19542151

IUPAC2-[(3-chlorophenyl)methyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole
SMILESClc1cccc(Cc2nnc(-c3ccc(COc4cccc5ccccc45)o3)o2)c1
InChIInChI=1S/C24H17ClN2O3/c25-18-8-3-5-16(13-18)14-23-26-27-24(30-23)22-12-11-19(29-22)15-28-21-10-4-7-17-6-1-2-9-20(17)21/h1-13H,14-15H2
InChIKeyHGMZIQVVGDDSKK-UHFFFAOYSA-N
MW416.86 g/mol
LogP6.31
Rot. Bonds6

About 2-[(3-chlorophenyl)methyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole

2-[(3-chlorophenyl)methyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole (PubChem CID 19542151) has the molecular formula C24H17ClN2O3 and a molecular weight of 416.86 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole
PubChem CID19542151
Molecular FormulaC24H17ClN2O3
Molecular Weight416.86 g/mol
Exact Mass416.09
IUPAC Name2-[(3-chlorophenyl)methyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole
SMILESClc1cccc(Cc2nnc(-c3ccc(COc4cccc5ccccc45)o3)o2)c1
InChIInChI=1S/C24H17ClN2O3/c25-18-8-3-5-16(13-18)14-23-26-27-24(30-23)22-12-11-19(29-22)15-28-21-10-4-7-17-6-1-2-9-20(17)21/h1-13H,14-15H2
InChIKeyHGMZIQVVGDDSKK-UHFFFAOYSA-N
XLogP6.31
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.86
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3-chlorophenyl)methyl]-5-[5-(naphthalen-1-yloxymethyl)furan-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-[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole
CID 19552807
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole
CID 19542141
3-(4-fluorophenyl)-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,2,4-oxadiazole
CID 19324674
4-[5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]aniline
CID 19542259
5-(naphthalen-1-yloxymethyl)furan-2-carboxylate
CID 3596350
2-[(3-chlorophenyl)methyl]-5-(3-chloropropyl)-1,3,4-oxadiazole
CID 62503900
4-[(3-chlorophenyl)methoxy]naphthalen-1-amine
CID 63690468
N-(5-chloro-2-hydroxyphenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412834
2-[(2,4-dichlorophenyl)methylsulfanyl]-5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazole
CID 3135926
2-(5-bromofuran-2-yl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole
CID 26218065
5-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 19324415
2-[(3-chlorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazole
CID 4777569

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole (CID 19542151) is 2-[(3-chlorophenyl)methyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole is Clc1cccc(Cc2nnc(-c3ccc(COc4cccc5ccccc45)o3)o2)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole?
The InChIKey is HGMZIQVVGDDSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O3/c25-18-8-3-5-16(13-18)14-23-26-27-24(30-23)22-12-11-19(29-22)15-28-21-10-4-7-17-6-1-2-9-20(17)21/h1-13H,14-15H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole?
2-[(3-chlorophenyl)methyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole has a molecular weight of 416.86 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-[(3-chlorophenyl)methyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 19542151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).