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

C17H12BrClN2O2S — CID 27371621

IUPACN-(4-bromophenyl)-2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1ncc(-c2cccc(Cl)c2)o1)Nc1ccc(Br)cc1
InChIInChI=1S/C17H12BrClN2O2S/c18-12-4-6-14(7-5-12)21-16(22)10-24-17-20-9-15(23-17)11-2-1-3-13(19)8-11/h1-9H,10H2,(H,21,22)
InChIKeyMUZUIFNCHJYMKO-UHFFFAOYSA-N
MW423.72 g/mol
LogP5.49
Rot. Bonds5

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

N-(4-bromophenyl)-2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide (PubChem CID 27371621) has the molecular formula C17H12BrClN2O2S and a molecular weight of 423.72 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
PubChem CID27371621
Molecular FormulaC17H12BrClN2O2S
Molecular Weight423.72 g/mol
Exact Mass421.95
IUPAC NameN-(4-bromophenyl)-2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1ncc(-c2cccc(Cl)c2)o1)Nc1ccc(Br)cc1
InChIInChI=1S/C17H12BrClN2O2S/c18-12-4-6-14(7-5-12)21-16(22)10-24-17-20-9-15(23-17)11-2-1-3-13(19)8-11/h1-9H,10H2,(H,21,22)
InChIKeyMUZUIFNCHJYMKO-UHFFFAOYSA-N
XLogP5.49
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.72
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
CID 50773556
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 50742963
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 50773610
N-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773689
2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 50775606
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 50773642
2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 50775533
N-(3-acetylphenyl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773664
N-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773798
N-(4-bromo-2-fluorophenyl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 50773663
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 50773491
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
CID 50773647

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide (CID 27371621) is N-(4-bromophenyl)-2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide is O=C(CSc1ncc(-c2cccc(Cl)c2)o1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The InChIKey is MUZUIFNCHJYMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClN2O2S/c18-12-4-6-14(7-5-12)21-16(22)10-24-17-20-9-15(23-17)11-2-1-3-13(19)8-11/h1-9H,10H2,(H,21,22).
What are the key properties of N-(4-bromophenyl)-2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
N-(4-bromophenyl)-2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide has a molecular weight of 423.72 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 27371621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).