N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-chlorophenoxy)acetamide

C14H9BrClN3O3S — CID 42110863

IUPACN-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nnc(-c2ccc(Br)s2)o1
InChIInChI=1S/C14H9BrClN3O3S/c15-11-6-5-10(23-11)13-18-19-14(22-13)17-12(20)7-21-9-3-1-8(16)2-4-9/h1-6H,7H2,(H,17,19,20)
InChIKeyNPUKXJPUTFVXHQ-UHFFFAOYSA-N
MW414.67 g/mol
LogP4.23
Rot. Bonds5

About N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-chlorophenoxy)acetamide

N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-chlorophenoxy)acetamide (PubChem CID 42110863) has the molecular formula C14H9BrClN3O3S and a molecular weight of 414.67 g/mol. Its IUPAC name is N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-chlorophenoxy)acetamide
PubChem CID42110863
Molecular FormulaC14H9BrClN3O3S
Molecular Weight414.67 g/mol
Exact Mass412.92
IUPAC NameN-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nnc(-c2ccc(Br)s2)o1
InChIInChI=1S/C14H9BrClN3O3S/c15-11-6-5-10(23-11)13-18-19-14(22-13)17-12(20)7-21-9-3-1-8(16)2-4-9/h1-6H,7H2,(H,17,19,20)
InChIKeyNPUKXJPUTFVXHQ-UHFFFAOYSA-N
XLogP4.23
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.67
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-chlorophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-chlorophenoxy)acetamide (CID 42110863) is N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)Nc1nnc(-c2ccc(Br)s2)o1.
What is the InChIKey of N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is NPUKXJPUTFVXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3O3S/c15-11-6-5-10(23-11)13-18-19-14(22-13)17-12(20)7-21-9-3-1-8(16)2-4-9/h1-6H,7H2,(H,17,19,20).
What are the key properties of N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-chlorophenoxy)acetamide?
N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 414.67 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 42110863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).