2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-phenylethyl)acetamide

C21H21ClN2O3S — CID 20860530

IUPAC2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-phenylethyl)acetamide
SMILESCc1oc(-c2ccccc2Cl)nc1CS(=O)CC(=O)NCCc1ccccc1
InChIInChI=1S/C21H21ClN2O3S/c1-15-19(24-21(27-15)17-9-5-6-10-18(17)22)13-28(26)14-20(25)23-12-11-16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,23,25)
InChIKeyFBMYDZBVBIOJFP-UHFFFAOYSA-N
MW416.93 g/mol
LogP3.91
Rot. Bonds8

About 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-phenylethyl)acetamide

2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-phenylethyl)acetamide (PubChem CID 20860530) has the molecular formula C21H21ClN2O3S and a molecular weight of 416.93 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-phenylethyl)acetamide
PubChem CID20860530
Molecular FormulaC21H21ClN2O3S
Molecular Weight416.93 g/mol
Exact Mass416.10
IUPAC Name2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-phenylethyl)acetamide
SMILESCc1oc(-c2ccccc2Cl)nc1CS(=O)CC(=O)NCCc1ccccc1
InChIInChI=1S/C21H21ClN2O3S/c1-15-19(24-21(27-15)17-9-5-6-10-18(17)22)13-28(26)14-20(25)23-12-11-16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,23,25)
InChIKeyFBMYDZBVBIOJFP-UHFFFAOYSA-N
XLogP3.91
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[2-[4-ethoxy-3-(methoxymethyl)phenyl]ethyl]acetamide
CID 126609376
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-[(S)-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
CID 92662673
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(R)-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfinyl]acetamide
CID 92662728
N-[(2-chlorophenyl)methyl]-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide
CID 4231073
2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
CID 20860510
2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide
CID 20860400
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-2-phenylacetamide
CID 110641249
2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 20860483
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(R)-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide
CID 92697037
N-(2-methoxyethyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide
CID 20860604
N-[2-(diethylamino)ethyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
CID 3243327
2-[(R)-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 92662652

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-phenylethyl)acetamide (CID 20860530) is 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-phenylethyl)acetamide is Cc1oc(-c2ccccc2Cl)nc1CS(=O)CC(=O)NCCc1ccccc1.
What is the InChIKey of 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-phenylethyl)acetamide?
The InChIKey is FBMYDZBVBIOJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3S/c1-15-19(24-21(27-15)17-9-5-6-10-18(17)22)13-28(26)14-20(25)23-12-11-16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,23,25).
What are the key properties of 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-phenylethyl)acetamide?
2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-phenylethyl)acetamide has a molecular weight of 416.93 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 20860530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).