2-(4-chlorophenyl)-5-(dibenzofuran-2-yloxymethyl)-1,3,4-oxadiazole

C21H13ClN2O3 — CID 7612771

IUPAC2-(4-chlorophenyl)-5-(dibenzofuran-2-yloxymethyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(COc3ccc4oc5ccccc5c4c3)o2)cc1
InChIInChI=1S/C21H13ClN2O3/c22-14-7-5-13(6-8-14)21-24-23-20(27-21)12-25-15-9-10-19-17(11-15)16-3-1-2-4-18(16)26-19/h1-11H,12H2
InChIKeyWLZRRGJHJWMKHL-UHFFFAOYSA-N
MW376.80 g/mol
LogP5.87
Rot. Bonds4

About 2-(4-chlorophenyl)-5-(dibenzofuran-2-yloxymethyl)-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-(dibenzofuran-2-yloxymethyl)-1,3,4-oxadiazole (PubChem CID 7612771) has the molecular formula C21H13ClN2O3 and a molecular weight of 376.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(dibenzofuran-2-yloxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(dibenzofuran-2-yloxymethyl)-1,3,4-oxadiazole
PubChem CID7612771
Molecular FormulaC21H13ClN2O3
Molecular Weight376.80 g/mol
Exact Mass376.06
IUPAC Name2-(4-chlorophenyl)-5-(dibenzofuran-2-yloxymethyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(COc3ccc4oc5ccccc5c4c3)o2)cc1
InChIInChI=1S/C21H13ClN2O3/c22-14-7-5-13(6-8-14)21-24-23-20(27-21)12-25-15-9-10-19-17(11-15)16-3-1-2-4-18(16)26-19/h1-11H,12H2
InChIKeyWLZRRGJHJWMKHL-UHFFFAOYSA-N
XLogP5.87
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.80
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
CID 7671554
2-(4-chlorophenyl)-5-[(2,6-dimethoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 7695649
2-[(4-chlorophenoxy)methyl]-5-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 38834490
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one
CID 90807371
2-(4-chlorophenyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole
CID 110655751
2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 18859382
2-[4-(2,4-dichlorophenoxy)phenyl]-5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 155805409
dibenzofuran-2-yl 2-(4-chlorophenoxy)acetate
CID 5153228
2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 17384873
[5-bromo-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanol
CID 7701791
2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran
CID 90250402
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,4-dimethylphenoxy)acetate
CID 8922243

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(dibenzofuran-2-yloxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-(dibenzofuran-2-yloxymethyl)-1,3,4-oxadiazole (CID 7612771) is 2-(4-chlorophenyl)-5-(dibenzofuran-2-yloxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(dibenzofuran-2-yloxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(dibenzofuran-2-yloxymethyl)-1,3,4-oxadiazole is Clc1ccc(-c2nnc(COc3ccc4oc5ccccc5c4c3)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(dibenzofuran-2-yloxymethyl)-1,3,4-oxadiazole?
The InChIKey is WLZRRGJHJWMKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClN2O3/c22-14-7-5-13(6-8-14)21-24-23-20(27-21)12-25-15-9-10-19-17(11-15)16-3-1-2-4-18(16)26-19/h1-11H,12H2.
What are the key properties of 2-(4-chlorophenyl)-5-(dibenzofuran-2-yloxymethyl)-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-(dibenzofuran-2-yloxymethyl)-1,3,4-oxadiazole has a molecular weight of 376.80 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(dibenzofuran-2-yloxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 7612771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).