2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-[2-(diethylamino)ethoxy]ethyl]acetamide

C19H26ClN3O3 — CID 110619907

IUPAC2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-[2-(diethylamino)ethoxy]ethyl]acetamide
SMILESCCN(CC)CCOCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C19H26ClN3O3/c1-3-23(4-2)10-12-25-11-9-21-19(24)14-17-13-18(26-22-17)15-5-7-16(20)8-6-15/h5-8,13H,3-4,9-12,14H2,1-2H3,(H,21,24)
InChIKeyDXHMZRIVJIXTSU-UHFFFAOYSA-N
MW379.89 g/mol
LogP3.01
Rot. Bonds11

About 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-[2-(diethylamino)ethoxy]ethyl]acetamide

2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-[2-(diethylamino)ethoxy]ethyl]acetamide (PubChem CID 110619907) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-[2-(diethylamino)ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-[2-(diethylamino)ethoxy]ethyl]acetamide
PubChem CID110619907
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-[2-(diethylamino)ethoxy]ethyl]acetamide
SMILESCCN(CC)CCOCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C19H26ClN3O3/c1-3-23(4-2)10-12-25-11-9-21-19(24)14-17-13-18(26-22-17)15-5-7-16(20)8-6-15/h5-8,13H,3-4,9-12,14H2,1-2H3,(H,21,24)
InChIKeyDXHMZRIVJIXTSU-UHFFFAOYSA-N
XLogP3.01
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyethyl)acetamide
CID 16878595
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 16878599
N-[3-(diethylamino)propyl]-2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879115
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methylbutyl)acetamide
CID 16878594
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-methoxyacetamide
CID 110619836
2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-[2-(diethylamino)ethoxy]ethyl]acetamide
CID 110425721
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)-2-methylpropyl]acetamide
CID 110312947
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide
CID 110357114
2-(4-chlorophenyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16866804
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 16878605
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)acetamide
CID 16878767
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 16878662

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-[2-(diethylamino)ethoxy]ethyl]acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-[2-(diethylamino)ethoxy]ethyl]acetamide (CID 110619907) is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-[2-(diethylamino)ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-[2-(diethylamino)ethoxy]ethyl]acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-[2-(diethylamino)ethoxy]ethyl]acetamide is CCN(CC)CCOCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-[2-(diethylamino)ethoxy]ethyl]acetamide?
The InChIKey is DXHMZRIVJIXTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c1-3-23(4-2)10-12-25-11-9-21-19(24)14-17-13-18(26-22-17)15-5-7-16(20)8-6-15/h5-8,13H,3-4,9-12,14H2,1-2H3,(H,21,24).
What are the key properties of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-[2-(diethylamino)ethoxy]ethyl]acetamide?
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-[2-(diethylamino)ethoxy]ethyl]acetamide has a molecular weight of 379.89 g/mol, XLogP of 3.01, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-[2-(diethylamino)ethoxy]ethyl]acetamide is sourced from PubChem (CID 110619907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).