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

C21H29N3O4S — CID 3245551

IUPAC2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCCOc1ccc(-c2nc(CSCC(=O)NCCN3CCOCC3)c(C)o2)cc1
InChIInChI=1S/C21H29N3O4S/c1-3-27-18-6-4-17(5-7-18)21-23-19(16(2)28-21)14-29-15-20(25)22-8-9-24-10-12-26-13-11-24/h4-7H,3,8-15H2,1-2H3,(H,22,25)
InChIKeyPWPWVSKNSIPQJT-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.73
Rot. Bonds10

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

2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 3245551) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID3245551
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC Name2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCCOc1ccc(-c2nc(CSCC(=O)NCCN3CCOCC3)c(C)o2)cc1
InChIInChI=1S/C21H29N3O4S/c1-3-27-18-6-4-17(5-7-18)21-23-19(16(2)28-21)14-29-15-20(25)22-8-9-24-10-12-26-13-11-24/h4-7H,3,8-15H2,1-2H3,(H,22,25)
InChIKeyPWPWVSKNSIPQJT-UHFFFAOYSA-N
XLogP2.73
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-morpholin-4-ylethyl)acetamide (CID 3245551) is 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-morpholin-4-ylethyl)acetamide is CCOc1ccc(-c2nc(CSCC(=O)NCCN3CCOCC3)c(C)o2)cc1.
What is the InChIKey of 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is PWPWVSKNSIPQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-3-27-18-6-4-17(5-7-18)21-23-19(16(2)28-21)14-29-15-20(25)22-8-9-24-10-12-26-13-11-24/h4-7H,3,8-15H2,1-2H3,(H,22,25).
What are the key properties of 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-morpholin-4-ylethyl)acetamide?
2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 419.55 g/mol, XLogP of 2.73, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 3245551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).