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

C17H12BrFN2O2S — CID 27371428

IUPACN-(4-bromophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Br)cc1
InChIInChI=1S/C17H12BrFN2O2S/c18-12-3-7-14(8-4-12)21-16(22)10-24-17-20-9-15(23-17)11-1-5-13(19)6-2-11/h1-9H,10H2,(H,21,22)
InChIKeyRUSFCEYMJVFIAZ-UHFFFAOYSA-N
MW407.26 g/mol
LogP4.97
Rot. Bonds5

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

N-(4-bromophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide (PubChem CID 27371428) has the molecular formula C17H12BrFN2O2S and a molecular weight of 407.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
PubChem CID27371428
Molecular FormulaC17H12BrFN2O2S
Molecular Weight407.26 g/mol
Exact Mass405.98
IUPAC NameN-(4-bromophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Br)cc1
InChIInChI=1S/C17H12BrFN2O2S/c18-12-3-7-14(8-4-12)21-16(22)10-24-17-20-9-15(23-17)11-1-5-13(19)6-2-11/h1-9H,10H2,(H,21,22)
InChIKeyRUSFCEYMJVFIAZ-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

Analyze N-(4-bromophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide (CID 27371428) is N-(4-bromophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide is O=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The InChIKey is RUSFCEYMJVFIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN2O2S/c18-12-3-7-14(8-4-12)21-16(22)10-24-17-20-9-15(23-17)11-1-5-13(19)6-2-11/h1-9H,10H2,(H,21,22).
What are the key properties of N-(4-bromophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
N-(4-bromophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]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 N-(4-bromophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 27371428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).