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

C17H22ClN3O2 — CID 110312947

IUPAC2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)-2-methylpropyl]acetamide
SMILESCN(C)C(C)(C)CNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C17H22ClN3O2/c1-17(2,21(3)4)11-19-16(22)10-14-9-15(23-20-14)12-5-7-13(18)8-6-12/h5-9H,10-11H2,1-4H3,(H,19,22)
InChIKeyKXJTWLAZAGPLMG-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.99
Rot. Bonds6

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

2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)-2-methylpropyl]acetamide (PubChem CID 110312947) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)-2-methylpropyl]acetamide
PubChem CID110312947
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)-2-methylpropyl]acetamide
SMILESCN(C)C(C)(C)CNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C17H22ClN3O2/c1-17(2,21(3)4)11-19-16(22)10-14-9-15(23-20-14)12-5-7-13(18)8-6-12/h5-9H,10-11H2,1-4H3,(H,19,22)
InChIKeyKXJTWLAZAGPLMG-UHFFFAOYSA-N
XLogP2.99
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 16878599
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-(2-methoxyethyl)acetamide
CID 16878595
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-methoxyacetamide
CID 110619836
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-[4-(dimethylamino)phenyl]acetamide
CID 16878662
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide
CID 110357114
4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866729
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-[2-(diethylamino)ethoxy]ethyl]acetamide
CID 110619907
N-(2-amino-2-methylpropyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119629061
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]acetamide
CID 110313875
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 16878605

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)-2-methylpropyl]acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)-2-methylpropyl]acetamide (CID 110312947) is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)-2-methylpropyl]acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)-2-methylpropyl]acetamide is CN(C)C(C)(C)CNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)-2-methylpropyl]acetamide?
The InChIKey is KXJTWLAZAGPLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-17(2,21(3)4)11-19-16(22)10-14-9-15(23-20-14)12-5-7-13(18)8-6-12/h5-9H,10-11H2,1-4H3,(H,19,22).
What are the key properties of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)-2-methylpropyl]acetamide?
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)-2-methylpropyl]acetamide has a molecular weight of 335.84 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)-2-methylpropyl]acetamide is sourced from PubChem (CID 110312947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).