2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(4-cyanophenyl)acetamide

C19H14ClN3O2S — CID 38639522

IUPAC2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CSCc2coc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H14ClN3O2S/c20-15-5-3-14(4-6-15)19-23-17(10-25-19)11-26-12-18(24)22-16-7-1-13(9-21)2-8-16/h1-8,10H,11-12H2,(H,22,24)
InChIKeyWCXXWWQIXZXXLS-UHFFFAOYSA-N
MW383.86 g/mol
LogP4.74
Rot. Bonds6

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

2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(4-cyanophenyl)acetamide (PubChem CID 38639522) has the molecular formula C19H14ClN3O2S and a molecular weight of 383.86 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(4-cyanophenyl)acetamide
PubChem CID38639522
Molecular FormulaC19H14ClN3O2S
Molecular Weight383.86 g/mol
Exact Mass383.05
IUPAC Name2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CSCc2coc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H14ClN3O2S/c20-15-5-3-14(4-6-15)19-23-17(10-25-19)11-26-12-18(24)22-16-7-1-13(9-21)2-8-16/h1-8,10H,11-12H2,(H,22,24)
InChIKeyWCXXWWQIXZXXLS-UHFFFAOYSA-N
XLogP4.74
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(4-cyanophenyl)acetamide (CID 38639522) is 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(4-cyanophenyl)acetamide is N#Cc1ccc(NC(=O)CSCc2coc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(4-cyanophenyl)acetamide?
The InChIKey is WCXXWWQIXZXXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2S/c20-15-5-3-14(4-6-15)19-23-17(10-25-19)11-26-12-18(24)22-16-7-1-13(9-21)2-8-16/h1-8,10H,11-12H2,(H,22,24).
What are the key properties of 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(4-cyanophenyl)acetamide?
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(4-cyanophenyl)acetamide has a molecular weight of 383.86 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 38639522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).