2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl chloride

C17H12ClNO2S — CID 54148093

IUPAC2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl chloride
SMILESO=C(Cl)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C17H12ClNO2S/c18-14(20)11-22-17-19-15(12-7-3-1-4-8-12)16(21-17)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyOFUIVVTVIZOBNR-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.87
Rot. Bonds5

About 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl chloride

2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl chloride (PubChem CID 54148093) has the molecular formula C17H12ClNO2S and a molecular weight of 329.81 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl chloride.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl chloride
PubChem CID54148093
Molecular FormulaC17H12ClNO2S
Molecular Weight329.81 g/mol
Exact Mass329.03
IUPAC Name2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl chloride
SMILESO=C(Cl)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C17H12ClNO2S/c18-14(20)11-22-17-19-15(12-7-3-1-4-8-12)16(21-17)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyOFUIVVTVIZOBNR-UHFFFAOYSA-N
XLogP4.87
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
CID 5037309
N-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 3964090
4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]butan-2-one;hydrochloride
CID 43833962
N-(3-chlorophenyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 4240103
N-(2-adamantyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 5219543
2-[[4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-4,5-diphenyl-1,3-oxazole
CID 4108977
N-(3-chloro-2-methylphenyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 5024827
5-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylic acid
CID 45468337
N-(benzylcarbamoyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 2453469
3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N,N-dimethylpropanamide
CID 3976740
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 3641827
1-(4-benzhydrylpiperazin-1-yl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 4169635

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl chloride?
The IUPAC name of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl chloride (CID 54148093) is 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl chloride.
What is the SMILES notation for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl chloride?
The canonical SMILES for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl chloride is O=C(Cl)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl chloride?
The InChIKey is OFUIVVTVIZOBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2S/c18-14(20)11-22-17-19-15(12-7-3-1-4-8-12)16(21-17)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl chloride?
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl chloride has a molecular weight of 329.81 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl chloride is sourced from PubChem (CID 54148093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).