2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide

C16H12BrN3O3 — CID 19328461

IUPAC2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C16H12BrN3O3/c17-12-5-1-11(2-6-12)16-19-15(20-23-16)10-3-7-13(8-4-10)22-9-14(18)21/h1-8H,9H2,(H2,18,21)
InChIKeyFXUIESDSKQZVBI-UHFFFAOYSA-N
MW374.19 g/mol
LogP3.03
Rot. Bonds5

About 2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide

2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (PubChem CID 19328461) has the molecular formula C16H12BrN3O3 and a molecular weight of 374.19 g/mol. Its IUPAC name is 2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
PubChem CID19328461
Molecular FormulaC16H12BrN3O3
Molecular Weight374.19 g/mol
Exact Mass373.01
IUPAC Name2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C16H12BrN3O3/c17-12-5-1-11(2-6-12)16-19-15(20-23-16)10-3-7-13(8-4-10)22-9-14(18)21/h1-8H,9H2,(H2,18,21)
InChIKeyFXUIESDSKQZVBI-UHFFFAOYSA-N
XLogP3.03
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328748
2-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328496
2-[4-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 135577426
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328687
2-[4-(4-bromophenyl)phenoxy]acetamide
CID 7949184
2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328474
2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 19328743
2-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19582150
2-[4-[5-(2,3-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328690
2-[4-[5-(4-iodo-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328449
2-[4-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328648
2-[4-[5-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328650

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The IUPAC name of 2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (CID 19328461) is 2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is NC(=O)COc1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of 2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The InChIKey is FXUIESDSKQZVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O3/c17-12-5-1-11(2-6-12)16-19-15(20-23-16)10-3-7-13(8-4-10)22-9-14(18)21/h1-8H,9H2,(H2,18,21).
What are the key properties of 2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide has a molecular weight of 374.19 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is sourced from PubChem (CID 19328461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).