[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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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).