N-(furan-2-ylmethyl)-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide

C19H20N2O4S — CID 20860417

IUPACN-(furan-2-ylmethyl)-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCc1cccc(-c2nc(CS(=O)CC(=O)NCc3ccco3)c(C)o2)c1
InChIInChI=1S/C19H20N2O4S/c1-13-5-3-6-15(9-13)19-21-17(14(2)25-19)11-26(23)12-18(22)20-10-16-7-4-8-24-16/h3-9H,10-12H2,1-2H3,(H,20,22)
InChIKeyGEKWNOXUKLGEKB-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.12
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide

N-(furan-2-ylmethyl)-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide (PubChem CID 20860417) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
PubChem CID20860417
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-(furan-2-ylmethyl)-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCc1cccc(-c2nc(CS(=O)CC(=O)NCc3ccco3)c(C)o2)c1
InChIInChI=1S/C19H20N2O4S/c1-13-5-3-6-15(9-13)19-21-17(14(2)25-19)11-26(23)12-18(22)20-10-16-7-4-8-24-16/h3-9H,10-12H2,1-2H3,(H,20,22)
InChIKeyGEKWNOXUKLGEKB-UHFFFAOYSA-N
XLogP3.12
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide (CID 20860417) is N-(furan-2-ylmethyl)-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide is Cc1cccc(-c2nc(CS(=O)CC(=O)NCc3ccco3)c(C)o2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The InChIKey is GEKWNOXUKLGEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-13-5-3-6-15(9-13)19-21-17(14(2)25-19)11-26(23)12-18(22)20-10-16-7-4-8-24-16/h3-9H,10-12H2,1-2H3,(H,20,22).
What are the key properties of N-(furan-2-ylmethyl)-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
N-(furan-2-ylmethyl)-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide has a molecular weight of 372.45 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide is sourced from PubChem (CID 20860417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).