2-(4-bromophenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide

C20H19BrClN3O3 — CID 55361069

IUPAC2-(4-bromophenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C20H19BrClN3O3/c1-2-11-25(19(26)13-27-15-9-7-14(21)8-10-15)12-18-23-24-20(28-18)16-5-3-4-6-17(16)22/h3-10H,2,11-13H2,1H3
InChIKeyQPAKTMWYRRORJF-UHFFFAOYSA-N
MW464.75 g/mol
LogP4.97
Rot. Bonds8

About 2-(4-bromophenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide

2-(4-bromophenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide (PubChem CID 55361069) has the molecular formula C20H19BrClN3O3 and a molecular weight of 464.75 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide
PubChem CID55361069
Molecular FormulaC20H19BrClN3O3
Molecular Weight464.75 g/mol
Exact Mass463.03
IUPAC Name2-(4-bromophenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C20H19BrClN3O3/c1-2-11-25(19(26)13-27-15-9-7-14(21)8-10-15)12-18-23-24-20(28-18)16-5-3-4-6-17(16)22/h3-10H,2,11-13H2,1H3
InChIKeyQPAKTMWYRRORJF-UHFFFAOYSA-N
XLogP4.97
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.75
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide (CID 55361069) is 2-(4-bromophenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide is CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide?
The InChIKey is QPAKTMWYRRORJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrClN3O3/c1-2-11-25(19(26)13-27-15-9-7-14(21)8-10-15)12-18-23-24-20(28-18)16-5-3-4-6-17(16)22/h3-10H,2,11-13H2,1H3.
What are the key properties of 2-(4-bromophenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide?
2-(4-bromophenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide has a molecular weight of 464.75 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide is sourced from PubChem (CID 55361069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).