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

C16H20ClN3O2 — CID 1477192

IUPACN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)NCc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C16H20ClN3O2/c1-3-20(4-2)11-16(21)18-10-14-9-15(19-22-14)12-5-7-13(17)8-6-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,21)
InChIKeyBJBJLYQOXHUQGU-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.95
Rot. Bonds7

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

N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-(diethylamino)acetamide (PubChem CID 1477192) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-(diethylamino)acetamide
PubChem CID1477192
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC NameN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)NCc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C16H20ClN3O2/c1-3-20(4-2)11-16(21)18-10-14-9-15(19-22-14)12-5-7-13(17)8-6-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,21)
InChIKeyBJBJLYQOXHUQGU-UHFFFAOYSA-N
XLogP2.95
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-(diethylamino)acetamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-(diethylamino)acetamide (CID 1477192) is N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-(diethylamino)acetamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-(diethylamino)acetamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-(diethylamino)acetamide is CCN(CC)CC(=O)NCc1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-(diethylamino)acetamide?
The InChIKey is BJBJLYQOXHUQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-3-20(4-2)11-16(21)18-10-14-9-15(19-22-14)12-5-7-13(17)8-6-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,21).
What are the key properties of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-(diethylamino)acetamide?
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-(diethylamino)acetamide has a molecular weight of 321.81 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-(diethylamino)acetamide is sourced from PubChem (CID 1477192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).