1-[4-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one

C18H22ClN3O2 — CID 126750535

IUPAC1-[4-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2ncc(-c3cccc(Cl)c3)o2)CC1
InChIInChI=1S/C18H22ClN3O2/c1-18(2,3)16(23)21-7-9-22(10-8-21)17-20-12-15(24-17)13-5-4-6-14(19)11-13/h4-6,11-12H,7-10H2,1-3H3
InChIKeyGDYFHXOZZARGNM-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.69
Rot. Bonds2

About 1-[4-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 126750535) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 1-[4-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID126750535
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name1-[4-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2ncc(-c3cccc(Cl)c3)o2)CC1
InChIInChI=1S/C18H22ClN3O2/c1-18(2,3)16(23)21-7-9-22(10-8-21)17-20-12-15(24-17)13-5-4-6-14(19)11-13/h4-6,11-12H,7-10H2,1-3H3
InChIKeyGDYFHXOZZARGNM-UHFFFAOYSA-N
XLogP3.69
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

1-[4-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperazin-1-yl]ethanone
CID 126758520
1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958404
2,2,2-trichloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 4196573
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119906619
1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113080329
1-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 145287275
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 41248921
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2,6-dimethylpiperidine-4-carboxylic acid
CID 136555565
1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 143462132
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 35025394
5-(3-chlorophenyl)-1-methylimidazole-2-carboxylic acid
CID 84699681
5-(3-chlorophenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 78808140

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 126750535) is 1-[4-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCN(c2ncc(-c3cccc(Cl)c3)o2)CC1.
What is the InChIKey of 1-[4-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is GDYFHXOZZARGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-18(2,3)16(23)21-7-9-22(10-8-21)17-20-12-15(24-17)13-5-4-6-14(19)11-13/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of 1-[4-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 347.85 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 126750535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).