N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1-benzofuran-2-carboxamide

C21H18ClN3O3 — CID 8895031

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1-benzofuran-2-carboxamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C21H18ClN3O3/c1-2-11-25(21(26)18-12-14-7-3-6-10-17(14)27-18)13-19-23-24-20(28-19)15-8-4-5-9-16(15)22/h3-10,12H,2,11,13H2,1H3
InChIKeyWEOUHWIJXVMZFO-UHFFFAOYSA-N
MW395.85 g/mol
LogP5.19
Rot. Bonds6

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1-benzofuran-2-carboxamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1-benzofuran-2-carboxamide (PubChem CID 8895031) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1-benzofuran-2-carboxamide
PubChem CID8895031
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1-benzofuran-2-carboxamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C21H18ClN3O3/c1-2-11-25(21(26)18-12-14-7-3-6-10-17(14)27-18)13-19-23-24-20(28-19)15-8-4-5-9-16(15)22/h3-10,12H,2,11,13H2,1H3
InChIKeyWEOUHWIJXVMZFO-UHFFFAOYSA-N
XLogP5.19
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.85
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1-benzofuran-2-carboxamide (CID 8895031) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1-benzofuran-2-carboxamide is CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1-benzofuran-2-carboxamide?
The InChIKey is WEOUHWIJXVMZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-2-11-25(21(26)18-12-14-7-3-6-10-17(14)27-18)13-19-23-24-20(28-19)15-8-4-5-9-16(15)22/h3-10,12H,2,11,13H2,1H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1-benzofuran-2-carboxamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1-benzofuran-2-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8895031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).