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

C17H12BrFN2O2S — CID 50775533

IUPAC2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CSc1ncc(-c2cccc(Br)c2)o1)Nc1ccccc1F
InChIInChI=1S/C17H12BrFN2O2S/c18-12-5-3-4-11(8-12)15-9-20-17(23-15)24-10-16(22)21-14-7-2-1-6-13(14)19/h1-9H,10H2,(H,21,22)
InChIKeyVINMILHUGNCEFQ-UHFFFAOYSA-N
MW407.26 g/mol
LogP4.97
Rot. Bonds5

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

2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide (PubChem CID 50775533) has the molecular formula C17H12BrFN2O2S and a molecular weight of 407.26 g/mol. Its IUPAC name is 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
PubChem CID50775533
Molecular FormulaC17H12BrFN2O2S
Molecular Weight407.26 g/mol
Exact Mass405.98
IUPAC Name2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CSc1ncc(-c2cccc(Br)c2)o1)Nc1ccccc1F
InChIInChI=1S/C17H12BrFN2O2S/c18-12-5-3-4-11(8-12)15-9-20-17(23-15)24-10-16(22)21-14-7-2-1-6-13(14)19/h1-9H,10H2,(H,21,22)
InChIKeyVINMILHUGNCEFQ-UHFFFAOYSA-N
XLogP4.97
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2-fluorophenyl)acetamide
CID 50773812
2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 50775606
2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-cyclohexylacetamide
CID 50775705
N-(4-bromophenyl)-2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 27371621
N-(2-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 55495881
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-difluorophenyl)acetamide
CID 50773681
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2-fluorophenyl)benzamide
CID 100510992
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
CID 50773556
methyl 2-[[2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 50773749
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
CID 50773647
2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2194605

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide (CID 50775533) is 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide is O=C(CSc1ncc(-c2cccc(Br)c2)o1)Nc1ccccc1F.
What is the InChIKey of 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
The InChIKey is VINMILHUGNCEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN2O2S/c18-12-5-3-4-11(8-12)15-9-20-17(23-15)24-10-16(22)21-14-7-2-1-6-13(14)19/h1-9H,10H2,(H,21,22).
What are the key properties of 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide?
2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide has a molecular weight of 407.26 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 50775533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).