2-(2,4-dichlorophenyl)-5-(4-methoxy-3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole

C18H12Cl2N2O3 — CID 10981650

IUPAC2-(2,4-dichlorophenyl)-5-(4-methoxy-3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
SMILESCOc1cccc2oc(-c3nnc(-c4ccc(Cl)cc4Cl)o3)c(C)c12
InChIInChI=1S/C18H12Cl2N2O3/c1-9-15-13(23-2)4-3-5-14(15)24-16(9)18-22-21-17(25-18)11-7-6-10(19)8-12(11)20/h3-8H,1-2H3
InChIKeyGYMSONCBXZWPKP-UHFFFAOYSA-N
MW375.21 g/mol
LogP5.77
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-5-(4-methoxy-3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole

2-(2,4-dichlorophenyl)-5-(4-methoxy-3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole (PubChem CID 10981650) has the molecular formula C18H12Cl2N2O3 and a molecular weight of 375.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-(4-methoxy-3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-(4-methoxy-3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
PubChem CID10981650
Molecular FormulaC18H12Cl2N2O3
Molecular Weight375.21 g/mol
Exact Mass374.02
IUPAC Name2-(2,4-dichlorophenyl)-5-(4-methoxy-3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
SMILESCOc1cccc2oc(-c3nnc(-c4ccc(Cl)cc4Cl)o3)c(C)c12
InChIInChI=1S/C18H12Cl2N2O3/c1-9-15-13(23-2)4-3-5-14(15)24-16(9)18-22-21-17(25-18)11-7-6-10(19)8-12(11)20/h3-8H,1-2H3
InChIKeyGYMSONCBXZWPKP-UHFFFAOYSA-N
XLogP5.77
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.21
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-(4-methoxy-3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-(4-methoxy-3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole (CID 10981650) is 2-(2,4-dichlorophenyl)-5-(4-methoxy-3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-(4-methoxy-3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-(4-methoxy-3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole is COc1cccc2oc(-c3nnc(-c4ccc(Cl)cc4Cl)o3)c(C)c12.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-(4-methoxy-3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole?
The InChIKey is GYMSONCBXZWPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O3/c1-9-15-13(23-2)4-3-5-14(15)24-16(9)18-22-21-17(25-18)11-7-6-10(19)8-12(11)20/h3-8H,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-5-(4-methoxy-3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole?
2-(2,4-dichlorophenyl)-5-(4-methoxy-3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole has a molecular weight of 375.21 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-(4-methoxy-3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 10981650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).