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

C15H18ClN3O2 — CID 16878599

IUPAC2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C15H18ClN3O2/c1-19(2)8-7-17-15(20)10-13-9-14(21-18-13)11-3-5-12(16)6-4-11/h3-6,9H,7-8,10H2,1-2H3,(H,17,20)
InChIKeyVHGKLYBAQFMAFF-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.22
Rot. Bonds6

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

2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 16878599) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID16878599
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C15H18ClN3O2/c1-19(2)8-7-17-15(20)10-13-9-14(21-18-13)11-3-5-12(16)6-4-11/h3-6,9H,7-8,10H2,1-2H3,(H,17,20)
InChIKeyVHGKLYBAQFMAFF-UHFFFAOYSA-N
XLogP2.22
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.22
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-methoxyethyl)acetamide
CID 16878595
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-(dimethylamino)-2-methylpropyl]acetamide
CID 110312947
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-[2-(diethylamino)ethoxy]ethyl]acetamide
CID 110619907
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide
CID 110357114
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-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 16879285
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 16878605
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]acetamide
CID 110313875
N-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878943

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide (CID 16878599) is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is VHGKLYBAQFMAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-19(2)8-7-17-15(20)10-13-9-14(21-18-13)11-3-5-12(16)6-4-11/h3-6,9H,7-8,10H2,1-2H3,(H,17,20).
What are the key properties of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide?
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 307.78 g/mol, XLogP of 2.22, 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)ethyl]acetamide is sourced from PubChem (CID 16878599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).