2-[[2-(4-ethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide

C22H24N2O2S — CID 171344507

IUPAC2-[[2-(4-ethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide
SMILESCCc1ccc(-c2nc(CSCC(=O)NCCc3ccccc3)co2)cc1
InChIInChI=1S/C22H24N2O2S/c1-2-17-8-10-19(11-9-17)22-24-20(14-26-22)15-27-16-21(25)23-13-12-18-6-4-3-5-7-18/h3-11,14H,2,12-13,15-16H2,1H3,(H,23,25)
InChIKeyYAMYZDXOSOYBAF-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.50
Rot. Bonds9

About 2-[[2-(4-ethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide

2-[[2-(4-ethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 171344507) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-[[2-(4-ethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-ethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID171344507
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name2-[[2-(4-ethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide
SMILESCCc1ccc(-c2nc(CSCC(=O)NCCc3ccccc3)co2)cc1
InChIInChI=1S/C22H24N2O2S/c1-2-17-8-10-19(11-9-17)22-24-20(14-26-22)15-27-16-21(25)23-13-12-18-6-4-3-5-7-18/h3-11,14H,2,12-13,15-16H2,1H3,(H,23,25)
InChIKeyYAMYZDXOSOYBAF-UHFFFAOYSA-N
XLogP4.50
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(((2-(4-Ethylphenyl)-5-methyloxazol-4-yl)methyl)thio)-N-phenethylacetamide
CID 6622273
2-{[2-(4-Methoxyphenyl)-5-methyl-1,3-oxazol-4-YL]methanesulfonyl}-N-[2-(4-methylphenyl)ethyl]acetamide
CID 16008049
N-cyclohexyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 3239761
N-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 3243889
4-[({[5-Methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}thio)acetyl]morpholine
CID 3235915
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}thio)acetamide
CID 3236439
2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}thio)-N-(3-morpholin-4-ylpropyl)acetamide
CID 3237115
2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}thio)-N-(pyridin-3-ylmethyl)acetamide
CID 3240583
N-[2-(dipropylamino)ethyl]-2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfinyl)acetamide
CID 3241591
N-[2-(diethylamino)ethyl]-2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfinyl)acetamide
CID 3243327
5-Methyl-2-(4-methylphenyl)-4-{[(2-oxo-2-pyrrolidin-1-ylethyl)thio]methyl}-1,3-oxazole
CID 3243729
N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 3245395

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[2-(4-ethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide (CID 171344507) is 2-[[2-(4-ethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[2-(4-ethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[2-(4-ethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide is CCc1ccc(-c2nc(CSCC(=O)NCCc3ccccc3)co2)cc1.
What is the InChIKey of 2-[[2-(4-ethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is YAMYZDXOSOYBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-2-17-8-10-19(11-9-17)22-24-20(14-26-22)15-27-16-21(25)23-13-12-18-6-4-3-5-7-18/h3-11,14H,2,12-13,15-16H2,1H3,(H,23,25).
What are the key properties of 2-[[2-(4-ethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide?
2-[[2-(4-ethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 380.51 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 171344507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).