[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone

C16H16Cl2N2O2 — CID 743794

IUPAC[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCCCC1
InChIInChI=1S/C16H16Cl2N2O2/c1-10-13(16(21)20-8-3-2-4-9-20)15(19-22-10)14-11(17)6-5-7-12(14)18/h5-7H,2-4,8-9H2,1H3
InChIKeyOZZIGUCEIWXPIA-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.58
Rot. Bonds2

About [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone

[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 743794) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone
PubChem CID743794
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCCCC1
InChIInChI=1S/C16H16Cl2N2O2/c1-10-13(16(21)20-8-3-2-4-9-20)15(19-22-10)14-11(17)6-5-7-12(14)18/h5-7H,2-4,8-9H2,1H3
InChIKeyOZZIGUCEIWXPIA-UHFFFAOYSA-N
XLogP4.58
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Nucleozin
CID 2863945
3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride
CID 78212
5-methyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 4250909
3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-methylpiperazinyl ketone
CID 798832
4-Isoxazolecarbonyl chloride, 3-(2-chlorophenyl)-5-methyl-
CID 96590
N-[5-Methyl-3-O-tolyl-isoxazole-4-carboxylic acid amide] boronic acid
CID 2815
N-{[3-(2-Chlorophenyl)-5-Methyl-1,2-Oxazol-4-Yl]carbonyl}glycine
CID 426788
[3-(2-Chloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 700029
[3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl][2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl]methanone
CID 2797972
[3-(2-Chloro-6-fluorophenyl)-5-methylisoxazol-4-yl](1,4-thiazinan-4-yl)methanone
CID 2804980
Methanone, (3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)phenyl-
CID 2805168
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
CID 822394

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone (CID 743794) is [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCCCC1.
What is the InChIKey of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is OZZIGUCEIWXPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-10-13(16(21)20-8-3-2-4-9-20)15(19-22-10)14-11(17)6-5-7-12(14)18/h5-7H,2-4,8-9H2,1H3.
What are the key properties of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone?
[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 339.22 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 743794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).