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

C19H17BrN2O4S — CID 50773517

IUPAC2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2ncc(-c3ccc(Br)cc3)o2)c1
InChIInChI=1S/C19H17BrN2O4S/c1-24-14-7-8-16(25-2)15(9-14)22-18(23)11-27-19-21-10-17(26-19)12-3-5-13(20)6-4-12/h3-10H,11H2,1-2H3,(H,22,23)
InChIKeyWKBCAYYHCDMLGE-UHFFFAOYSA-N
MW449.33 g/mol
LogP4.85
Rot. Bonds7

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

2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 50773517) has the molecular formula C19H17BrN2O4S and a molecular weight of 449.33 g/mol. Its IUPAC name is 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID50773517
Molecular FormulaC19H17BrN2O4S
Molecular Weight449.33 g/mol
Exact Mass448.01
IUPAC Name2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2ncc(-c3ccc(Br)cc3)o2)c1
InChIInChI=1S/C19H17BrN2O4S/c1-24-14-7-8-16(25-2)15(9-14)22-18(23)11-27-19-21-10-17(26-19)12-3-5-13(20)6-4-12/h3-10H,11H2,1-2H3,(H,22,23)
InChIKeyWKBCAYYHCDMLGE-UHFFFAOYSA-N
XLogP4.85
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.33
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50775627
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 50773642
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 50742963
methyl 2-[[2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 50773749
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
CID 50773556
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 50773491
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 50773610
N-(3,5-dimethoxyphenyl)-2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773479
N-(4-bromo-2-fluorophenyl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 50773663
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 50773707

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide (CID 50773517) is 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CSc2ncc(-c3ccc(Br)cc3)o2)c1.
What is the InChIKey of 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is WKBCAYYHCDMLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O4S/c1-24-14-7-8-16(25-2)15(9-14)22-18(23)11-27-19-21-10-17(26-19)12-3-5-13(20)6-4-12/h3-10H,11H2,1-2H3,(H,22,23).
What are the key properties of 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide?
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 449.33 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 50773517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).