N-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide

C22H24N2O2S — CID 55629856

IUPACN-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CSCc2coc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H24N2O2S/c1-22(2,3)17-9-11-18(12-10-17)23-20(25)15-27-14-19-13-26-21(24-19)16-7-5-4-6-8-16/h4-13H,14-15H2,1-3H3,(H,23,25)
InChIKeyDDXQBNSQKAIZDE-UHFFFAOYSA-N
MW380.51 g/mol
LogP5.51
Rot. Bonds6

About N-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide

N-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide (PubChem CID 55629856) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
PubChem CID55629856
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CSCc2coc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H24N2O2S/c1-22(2,3)17-9-11-18(12-10-17)23-20(25)15-27-14-19-13-26-21(24-19)16-7-5-4-6-8-16/h4-13H,14-15H2,1-3H3,(H,23,25)
InChIKeyDDXQBNSQKAIZDE-UHFFFAOYSA-N
XLogP5.51
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 55630083
N-phenyl-2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]acetamide
CID 55990346
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 110001098
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 86898266
2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]propanoic acid
CID 119225340
N-(2-aminoethyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 119385455
2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 55876338
(2S)-2-methyl-3-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]propanoic acid
CID 97087268
2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]butanoic acid
CID 119223648
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 56550703
N-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 38640316
2-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]propanoic acid
CID 81223346

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide (CID 55629856) is N-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide is CC(C)(C)c1ccc(NC(=O)CSCc2coc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is DDXQBNSQKAIZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-22(2,3)17-9-11-18(12-10-17)23-20(25)15-27-14-19-13-26-21(24-19)16-7-5-4-6-8-16/h4-13H,14-15H2,1-3H3,(H,23,25).
What are the key properties of N-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
N-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 380.51 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 55629856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).