N-cyclopentyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide

C20H26N2O5S — CID 20860555

IUPACN-cyclopentyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCOc1ccc(-c2nc(CS(=O)CC(=O)NC3CCCC3)c(C)o2)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-13-16(11-28(24)12-19(23)21-15-6-4-5-7-15)22-20(27-13)14-8-9-17(25-2)18(10-14)26-3/h8-10,15H,4-7,11-12H2,1-3H3,(H,21,23)
InChIKeyOCIRIPZRDJXYIJ-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.97
Rot. Bonds8

About N-cyclopentyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide

N-cyclopentyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide (PubChem CID 20860555) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide
PubChem CID20860555
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-cyclopentyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCOc1ccc(-c2nc(CS(=O)CC(=O)NC3CCCC3)c(C)o2)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-13-16(11-28(24)12-19(23)21-15-6-4-5-7-15)22-20(27-13)14-8-9-17(25-2)18(10-14)26-3/h8-10,15H,4-7,11-12H2,1-3H3,(H,21,23)
InChIKeyOCIRIPZRDJXYIJ-UHFFFAOYSA-N
XLogP2.97
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide (CID 20860555) is N-cyclopentyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide is COc1ccc(-c2nc(CS(=O)CC(=O)NC3CCCC3)c(C)o2)cc1OC.
What is the InChIKey of N-cyclopentyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The InChIKey is OCIRIPZRDJXYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-13-16(11-28(24)12-19(23)21-15-6-4-5-7-15)22-20(27-13)14-8-9-17(25-2)18(10-14)26-3/h8-10,15H,4-7,11-12H2,1-3H3,(H,21,23).
What are the key properties of N-cyclopentyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
N-cyclopentyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide has a molecular weight of 406.50 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide is sourced from PubChem (CID 20860555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).