N-[(2-ethoxy-3-pyridinyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide

C20H21N3O3S — CID 55774452

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCCOc1ncccc1CNC(=O)CSCc1coc(-c2ccccc2)n1
InChIInChI=1S/C20H21N3O3S/c1-2-25-19-16(9-6-10-21-19)11-22-18(24)14-27-13-17-12-26-20(23-17)15-7-4-3-5-8-15/h3-10,12H,2,11,13-14H2,1H3,(H,22,24)
InChIKeyKZDQDLFPKSORFX-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.68
Rot. Bonds9

About N-[(2-ethoxy-3-pyridinyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide

N-[(2-ethoxy-3-pyridinyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide (PubChem CID 55774452) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
PubChem CID55774452
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCCOc1ncccc1CNC(=O)CSCc1coc(-c2ccccc2)n1
InChIInChI=1S/C20H21N3O3S/c1-2-25-19-16(9-6-10-21-19)11-22-18(24)14-27-13-17-12-26-20(23-17)15-7-4-3-5-8-15/h3-10,12H,2,11,13-14H2,1H3,(H,22,24)
InChIKeyKZDQDLFPKSORFX-UHFFFAOYSA-N
XLogP3.68
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(2-pyridin-2-ylethyl)acetamide
CID 87000849
N-(2-aminoethyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 119385455
(2S)-2-methyl-3-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]propanoic acid
CID 97087268
N-phenyl-2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]acetamide
CID 55990346
2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]butanoic acid
CID 119223648
2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]propanoic acid
CID 119225340
1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111552846
N-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 55629856
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 110001098
2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-[(R)-phenyl(pyridin-2-yl)methyl]acetamide
CID 51958395
2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide
CID 38640450
2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 55630083

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide (CID 55774452) is N-[(2-ethoxy-3-pyridinyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide is CCOc1ncccc1CNC(=O)CSCc1coc(-c2ccccc2)n1.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is KZDQDLFPKSORFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-2-25-19-16(9-6-10-21-19)11-22-18(24)14-27-13-17-12-26-20(23-17)15-7-4-3-5-8-15/h3-10,12H,2,11,13-14H2,1H3,(H,22,24).
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 383.47 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 55774452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).