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

C18H20Cl2N2O2 — CID 2862707

IUPAC[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1C(C)CCCC1C
InChIInChI=1S/C18H20Cl2N2O2/c1-10-6-4-7-11(2)22(10)18(23)15-12(3)24-21-17(15)16-13(19)8-5-9-14(16)20/h5,8-11H,4,6-7H2,1-3H3
InChIKeyRHXIAGBJGOVMSO-UHFFFAOYSA-N
MW367.28 g/mol
LogP5.36
Rot. Bonds2

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

[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,6-dimethylpiperidin-1-yl)methanone (PubChem CID 2862707) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,6-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,6-dimethylpiperidin-1-yl)methanone
PubChem CID2862707
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1C(C)CCCC1C
InChIInChI=1S/C18H20Cl2N2O2/c1-10-6-4-7-11(2)22(10)18(23)15-12(3)24-21-17(15)16-13(19)8-5-9-14(16)20/h5,8-11H,4,6-7H2,1-3H3
InChIKeyRHXIAGBJGOVMSO-UHFFFAOYSA-N
XLogP5.36
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.28
LogP ≤ 55.36
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]-(2,6-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,6-dimethylpiperidin-1-yl)methanone (CID 2862707) is [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,6-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,6-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,6-dimethylpiperidin-1-yl)methanone is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1C(C)CCCC1C.
What is the InChIKey of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,6-dimethylpiperidin-1-yl)methanone?
The InChIKey is RHXIAGBJGOVMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c1-10-6-4-7-11(2)22(10)18(23)15-12(3)24-21-17(15)16-13(19)8-5-9-14(16)20/h5,8-11H,4,6-7H2,1-3H3.
What are the key properties of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,6-dimethylpiperidin-1-yl)methanone?
[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2,6-dimethylpiperidin-1-yl)methanone has a molecular weight of 367.28 g/mol, XLogP of 5.36, 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]-(2,6-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 2862707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).