2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(pyridin-3-ylmethyl)acetamide

C20H21N3O5S — CID 20860718

IUPAC2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCc3cccnc3)c(C)o2)c1
InChIInChI=1S/C20H21N3O5S/c1-14-18(23-20(28-14)16-6-3-7-17(9-16)27-2)12-29(25,26)13-19(24)22-11-15-5-4-8-21-10-15/h3-10H,11-13H2,1-2H3,(H,22,24)
InChIKeyRAFFMHHJVBEYCU-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.28
Rot. Bonds8

About 2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(pyridin-3-ylmethyl)acetamide

2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 20860718) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID20860718
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCc3cccnc3)c(C)o2)c1
InChIInChI=1S/C20H21N3O5S/c1-14-18(23-20(28-14)16-6-3-7-17(9-16)27-2)12-29(25,26)13-19(24)22-11-15-5-4-8-21-10-15/h3-10H,11-13H2,1-2H3,(H,22,24)
InChIKeyRAFFMHHJVBEYCU-UHFFFAOYSA-N
XLogP2.28
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(pyridin-3-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(pyridin-3-ylmethyl)acetamide (CID 20860718) is 2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(pyridin-3-ylmethyl)acetamide is COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCc3cccnc3)c(C)o2)c1.
What is the InChIKey of 2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is RAFFMHHJVBEYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-14-18(23-20(28-14)16-6-3-7-17(9-16)27-2)12-29(25,26)13-19(24)22-11-15-5-4-8-21-10-15/h3-10H,11-13H2,1-2H3,(H,22,24).
What are the key properties of 2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(pyridin-3-ylmethyl)acetamide?
2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 415.47 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 20860718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).