2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide

C19H25N3O4S — CID 25161789

IUPAC2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(=O)CSCc1c(C)noc1C
InChIInChI=1S/C19H25N3O4S/c1-5-22(10-18(23)20-15-6-8-16(25-4)9-7-15)19(24)12-27-11-17-13(2)21-26-14(17)3/h6-9H,5,10-12H2,1-4H3,(H,20,23)
InChIKeyKULSPIORNAEPTD-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.02
Rot. Bonds9

About 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide

2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 25161789) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID25161789
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(=O)CSCc1c(C)noc1C
InChIInChI=1S/C19H25N3O4S/c1-5-22(10-18(23)20-15-6-8-16(25-4)9-7-15)19(24)12-27-11-17-13(2)21-26-14(17)3/h6-9H,5,10-12H2,1-4H3,(H,20,23)
InChIKeyKULSPIORNAEPTD-UHFFFAOYSA-N
XLogP3.02
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide (CID 25161789) is 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide is CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)CSCc1c(C)noc1C.
What is the InChIKey of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is KULSPIORNAEPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-5-22(10-18(23)20-15-6-8-16(25-4)9-7-15)19(24)12-27-11-17-13(2)21-26-14(17)3/h6-9H,5,10-12H2,1-4H3,(H,20,23).
What are the key properties of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 391.49 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 25161789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).