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

C19H19N3O2S — CID 87000849

IUPAC2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(2-pyridin-2-ylethyl)acetamide
SMILESO=C(CSCc1coc(-c2ccccc2)n1)NCCc1ccccn1
InChIInChI=1S/C19H19N3O2S/c23-18(21-11-9-16-8-4-5-10-20-16)14-25-13-17-12-24-19(22-17)15-6-2-1-3-7-15/h1-8,10,12H,9,11,13-14H2,(H,21,23)
InChIKeyJGZJCUNAAFGRIF-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.33
Rot. Bonds8

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

2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 87000849) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID87000849
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(2-pyridin-2-ylethyl)acetamide
SMILESO=C(CSCc1coc(-c2ccccc2)n1)NCCc1ccccn1
InChIInChI=1S/C19H19N3O2S/c23-18(21-11-9-16-8-4-5-10-20-16)14-25-13-17-12-24-19(22-17)15-6-2-1-3-7-15/h1-8,10,12H,9,11,13-14H2,(H,21,23)
InChIKeyJGZJCUNAAFGRIF-UHFFFAOYSA-N
XLogP3.33
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 119385455
1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-pyridin-2-ylethyl)urea
CID 60620267
N-phenyl-2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]acetamide
CID 55990346
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 87000763
(2S)-2-methyl-3-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]propanoic acid
CID 97087268
2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-[(R)-phenyl(pyridin-2-yl)methyl]acetamide
CID 51958395
N-[(2-ethoxy-3-pyridinyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 55774452
2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394434
2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]propanoic acid
CID 119225340
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 56550703
N-(2-hydroxyethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 110901516
2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]butanoic acid
CID 119223648

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(2-pyridin-2-ylethyl)acetamide (CID 87000849) is 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(2-pyridin-2-ylethyl)acetamide is O=C(CSCc1coc(-c2ccccc2)n1)NCCc1ccccn1.
What is the InChIKey of 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is JGZJCUNAAFGRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-18(21-11-9-16-8-4-5-10-20-16)14-25-13-17-12-24-19(22-17)15-6-2-1-3-7-15/h1-8,10,12H,9,11,13-14H2,(H,21,23).
What are the key properties of 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(2-pyridin-2-ylethyl)acetamide?
2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 353.45 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 87000849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).