2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)acetamide

C19H22ClN3O2 — CID 167798158

IUPAC2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)acetamide
SMILESCN1CC2CCC1C(NC(=O)Cc1coc(-c3ccc(Cl)cc3)n1)C2
InChIInChI=1S/C19H22ClN3O2/c1-23-10-12-2-7-17(23)16(8-12)22-18(24)9-15-11-25-19(21-15)13-3-5-14(20)6-4-13/h3-6,11-12,16-17H,2,7-10H2,1H3,(H,22,24)
InChIKeyMFFQBKSHFVBXPU-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.14
Rot. Bonds4

About 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)acetamide

2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)acetamide (PubChem CID 167798158) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)acetamide
PubChem CID167798158
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)acetamide
SMILESCN1CC2CCC1C(NC(=O)Cc1coc(-c3ccc(Cl)cc3)n1)C2
InChIInChI=1S/C19H22ClN3O2/c1-23-10-12-2-7-17(23)16(8-12)22-18(24)9-15-11-25-19(21-15)13-3-5-14(20)6-4-13/h3-6,11-12,16-17H,2,7-10H2,1H3,(H,22,24)
InChIKeyMFFQBKSHFVBXPU-UHFFFAOYSA-N
XLogP3.14
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
CID 120556031
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 56826461
N-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide
CID 119499058
3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 84588911
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 119546423
2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546102
(3S)-1-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 124703265
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 124697594
N-(2-amino-1-cyclohexylethyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide;hydrochloride
CID 119591708
1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol
CID 106672993
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethanone;hydrochloride
CID 120658276
2-(2-phenyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylcyclopentyl)acetamide
CID 167926329

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)acetamide (CID 167798158) is 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)acetamide is CN1CC2CCC1C(NC(=O)Cc1coc(-c3ccc(Cl)cc3)n1)C2.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)acetamide?
The InChIKey is MFFQBKSHFVBXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-23-10-12-2-7-17(23)16(8-12)22-18(24)9-15-11-25-19(21-15)13-3-5-14(20)6-4-13/h3-6,11-12,16-17H,2,7-10H2,1H3,(H,22,24).
What are the key properties of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)acetamide?
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)acetamide has a molecular weight of 359.86 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)acetamide is sourced from PubChem (CID 167798158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).