2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-morpholin-4-ylethyl)acetamide

C20H27N3O5S — CID 5307662

IUPAC2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1ccccc1-c1nc(CS(=O)(=O)CC(=O)NCCN2CCOCC2)c(C)o1
InChIInChI=1S/C20H27N3O5S/c1-15-5-3-4-6-17(15)20-22-18(16(2)28-20)13-29(25,26)14-19(24)21-7-8-23-9-11-27-12-10-23/h3-6H,7-14H2,1-2H3,(H,21,24)
InChIKeyHFGNLBWQYWIQKY-UHFFFAOYSA-N
MW421.52 g/mol
LogP1.32
Rot. Bonds8

About 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-morpholin-4-ylethyl)acetamide

2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 5307662) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID5307662
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC Name2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1ccccc1-c1nc(CS(=O)(=O)CC(=O)NCCN2CCOCC2)c(C)o1
InChIInChI=1S/C20H27N3O5S/c1-15-5-3-4-6-17(15)20-22-18(16(2)28-20)13-29(25,26)14-19(24)21-7-8-23-9-11-27-12-10-23/h3-6H,7-14H2,1-2H3,(H,21,24)
InChIKeyHFGNLBWQYWIQKY-UHFFFAOYSA-N
XLogP1.32
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 6625021
2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 20860703
2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 20860841
4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 129060912
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-[(S)-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
CID 92662673
2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 20886447
N-(4-bromo-2-fluorophenyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide
CID 20860796
2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-1-morpholin-4-ylethanone
CID 20860495
2-[(R)-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 92662632
3-[6-(2-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 83289436
N-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110417932
N-[2-(2-hydroxyphenyl)ethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110614800

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-morpholin-4-ylethyl)acetamide (CID 5307662) is 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-morpholin-4-ylethyl)acetamide is Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)NCCN2CCOCC2)c(C)o1.
What is the InChIKey of 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is HFGNLBWQYWIQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-15-5-3-4-6-17(15)20-22-18(16(2)28-20)13-29(25,26)14-19(24)21-7-8-23-9-11-27-12-10-23/h3-6H,7-14H2,1-2H3,(H,21,24).
What are the key properties of 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-morpholin-4-ylethyl)acetamide?
2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 421.52 g/mol, XLogP of 1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 5307662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).