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

C17H22ClN3O2 — CID 43019628

IUPACN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NCC(c1ccccc1Cl)N(C)C
InChIInChI=1S/C17H22ClN3O2/c1-11-14(12(2)23-20-11)9-17(22)19-10-16(21(3)4)13-7-5-6-8-15(13)18/h5-8,16H,9-10H2,1-4H3,(H,19,22)
InChIKeyXHOXCIJDUBHSML-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.91
Rot. Bonds6

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

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 43019628) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID43019628
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NCC(c1ccccc1Cl)N(C)C
InChIInChI=1S/C17H22ClN3O2/c1-11-14(12(2)23-20-11)9-17(22)19-10-16(21(3)4)13-7-5-6-8-15(13)18/h5-8,16H,9-10H2,1-4H3,(H,19,22)
InChIKeyXHOXCIJDUBHSML-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110622054
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide
CID 111119841
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55786869
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-phenylpropanoic acid
CID 119254605
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 111115673
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
N-[(2-chloro-6-methylphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 23654563
N-[2-(diethylamino)-3-phenylpropyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 43067553
N-[2-(dimethylamino)-2-phenylethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 84603506
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 41088769
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110302779
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 30686848

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 43019628) is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)NCC(c1ccccc1Cl)N(C)C.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is XHOXCIJDUBHSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-11-14(12(2)23-20-11)9-17(22)19-10-16(21(3)4)13-7-5-6-8-15(13)18/h5-8,16H,9-10H2,1-4H3,(H,19,22).
What are the key properties of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 335.84 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 43019628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).