2-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-N-[(Z)-1-(4-bromophenyl)ethylideneamino]acetamide

C19H15Br2N3O3 — CID 44723126

IUPAC2-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-N-[(Z)-1-(4-bromophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(Br)cc1-c1ccno1)c1ccc(Br)cc1
InChIInChI=1S/C19H15Br2N3O3/c1-12(13-2-4-14(20)5-3-13)23-24-19(25)11-26-17-7-6-15(21)10-16(17)18-8-9-22-27-18/h2-10H,11H2,1H3,(H,24,25)/b23-12-
InChIKeyYOCJWISNKICDSJ-FMCGGJTJSA-N
MW493.16 g/mol
LogP4.79
Rot. Bonds6

About 2-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-N-[(Z)-1-(4-bromophenyl)ethylideneamino]acetamide

2-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-N-[(Z)-1-(4-bromophenyl)ethylideneamino]acetamide (PubChem CID 44723126) has the molecular formula C19H15Br2N3O3 and a molecular weight of 493.16 g/mol. Its IUPAC name is 2-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-N-[(Z)-1-(4-bromophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-N-[(Z)-1-(4-bromophenyl)ethylideneamino]acetamide
PubChem CID44723126
Molecular FormulaC19H15Br2N3O3
Molecular Weight493.16 g/mol
Exact Mass490.95
IUPAC Name2-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-N-[(Z)-1-(4-bromophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(Br)cc1-c1ccno1)c1ccc(Br)cc1
InChIInChI=1S/C19H15Br2N3O3/c1-12(13-2-4-14(20)5-3-13)23-24-19(25)11-26-17-7-6-15(21)10-16(17)18-8-9-22-27-18/h2-10H,11H2,1H3,(H,24,25)/b23-12-
InChIKeyYOCJWISNKICDSJ-FMCGGJTJSA-N
XLogP4.79
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.16
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-N-[(Z)-1-(4-bromophenyl)ethylideneamino]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-bromo-2-methylphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135625886
2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773
2-(4-bromo-2-chlorophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 4632189
2-(4-bromo-2-methoxyphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 3468088
N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide
CID 3367043
N-[(Z)-butan-2-ylideneamino]-2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetamide
CID 44724912
2-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(4-oxochromen-3-yl)methylideneamino]acetamide
CID 44723070
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 3466806
2-(2-bromo-4-methoxyphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135849100
2-(2-bromo-4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 4926099
N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide
CID 3466804
2-(2,4-dimethylphenoxy)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 92847264

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-N-[(Z)-1-(4-bromophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-N-[(Z)-1-(4-bromophenyl)ethylideneamino]acetamide (CID 44723126) is 2-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-N-[(Z)-1-(4-bromophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-N-[(Z)-1-(4-bromophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-N-[(Z)-1-(4-bromophenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)COc1ccc(Br)cc1-c1ccno1)c1ccc(Br)cc1.
What is the InChIKey of 2-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-N-[(Z)-1-(4-bromophenyl)ethylideneamino]acetamide?
The InChIKey is YOCJWISNKICDSJ-FMCGGJTJSA-N. The full InChI is InChI=1S/C19H15Br2N3O3/c1-12(13-2-4-14(20)5-3-13)23-24-19(25)11-26-17-7-6-15(21)10-16(17)18-8-9-22-27-18/h2-10H,11H2,1H3,(H,24,25)/b23-12-.
What are the key properties of 2-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-N-[(Z)-1-(4-bromophenyl)ethylideneamino]acetamide?
2-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-N-[(Z)-1-(4-bromophenyl)ethylideneamino]acetamide has a molecular weight of 493.16 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-N-[(Z)-1-(4-bromophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 44723126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).