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

C23H17ClN2O2S — CID 4240103

IUPACN-(3-chlorophenyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1cccc(Cl)c1
InChIInChI=1S/C23H17ClN2O2S/c24-18-12-7-13-19(14-18)25-20(27)15-29-23-26-21(16-8-3-1-4-9-16)22(28-23)17-10-5-2-6-11-17/h1-14H,15H2,(H,25,27)
InChIKeyDQELYSJFWVGDLV-UHFFFAOYSA-N
MW420.92 g/mol
LogP6.39
Rot. Bonds6

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

N-(3-chlorophenyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide (PubChem CID 4240103) has the molecular formula C23H17ClN2O2S and a molecular weight of 420.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
PubChem CID4240103
Molecular FormulaC23H17ClN2O2S
Molecular Weight420.92 g/mol
Exact Mass420.07
IUPAC NameN-(3-chlorophenyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1cccc(Cl)c1
InChIInChI=1S/C23H17ClN2O2S/c24-18-12-7-13-19(14-18)25-20(27)15-29-23-26-21(16-8-3-1-4-9-16)22(28-23)17-10-5-2-6-11-17/h1-14H,15H2,(H,25,27)
InChIKeyDQELYSJFWVGDLV-UHFFFAOYSA-N
XLogP6.39
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.92
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylic acid
CID 45468337
N-(3-chloro-2-methylphenyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 5024827
dimethyl 5-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
CID 3953748
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 5198981
N-(3-chlorophenyl)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5018511
N-(2,3-dimethylphenyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 2268105
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl chloride
CID 54148093
N-(3-chlorophenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 20948919
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 4044762
N-(3-chlorophenyl)-2-[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1374929
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3947415
N-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 3964090

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide (CID 4240103) is N-(3-chlorophenyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide is O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The InChIKey is DQELYSJFWVGDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2S/c24-18-12-7-13-19(14-18)25-20(27)15-29-23-26-21(16-8-3-1-4-9-16)22(28-23)17-10-5-2-6-11-17/h1-14H,15H2,(H,25,27).
What are the key properties of N-(3-chlorophenyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
N-(3-chlorophenyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide has a molecular weight of 420.92 g/mol, XLogP of 6.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4240103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).