2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide

C17H13BrN2O2S — CID 50773556

IUPAC2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1ncc(-c2ccc(Br)cc2)o1)Nc1ccccc1
InChIInChI=1S/C17H13BrN2O2S/c18-13-8-6-12(7-9-13)15-10-19-17(22-15)23-11-16(21)20-14-4-2-1-3-5-14/h1-10H,11H2,(H,20,21)
InChIKeyXUIACYAIEBKLRY-UHFFFAOYSA-N
MW389.27 g/mol
LogP4.83
Rot. Bonds5

About 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide

2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide (PubChem CID 50773556) has the molecular formula C17H13BrN2O2S and a molecular weight of 389.27 g/mol. Its IUPAC name is 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
PubChem CID50773556
Molecular FormulaC17H13BrN2O2S
Molecular Weight389.27 g/mol
Exact Mass387.99
IUPAC Name2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1ncc(-c2ccc(Br)cc2)o1)Nc1ccccc1
InChIInChI=1S/C17H13BrN2O2S/c18-13-8-6-12(7-9-13)15-10-19-17(22-15)23-11-16(21)20-14-4-2-1-3-5-14/h1-10H,11H2,(H,20,21)
InChIKeyXUIACYAIEBKLRY-UHFFFAOYSA-N
XLogP4.83
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide 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-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
CID 50773647
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 50742963
N-(4-bromophenyl)-2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 27371621
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 50773642
N-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773798
methyl 2-[[2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 50773749
N-(4-bromo-2-fluorophenyl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 50773663
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 50773475
N-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773689
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(2S)-butan-2-yl]acetamide
CID 94073665
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 45283817
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 50773517

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide (CID 50773556) is 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide is O=C(CSc1ncc(-c2ccc(Br)cc2)o1)Nc1ccccc1.
What is the InChIKey of 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is XUIACYAIEBKLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2S/c18-13-8-6-12(7-9-13)15-10-19-17(22-15)23-11-16(21)20-14-4-2-1-3-5-14/h1-10H,11H2,(H,20,21).
What are the key properties of 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide?
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 389.27 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 50773556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).