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

C17H16Cl2N4O2 — CID 100984757

IUPAC3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1-c1noc(C2CCNCC2)n1
InChIInChI=1S/C17H16Cl2N4O2/c1-9-13(15(22-24-9)14-11(18)3-2-4-12(14)19)16-21-17(25-23-16)10-5-7-20-8-6-10/h2-4,10,20H,5-8H2,1H3
InChIKeyOOEPVMZHWWXCSM-UHFFFAOYSA-N
MW379.25 g/mol
LogP4.47
Rot. Bonds3

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

3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 100984757) has the molecular formula C17H16Cl2N4O2 and a molecular weight of 379.25 g/mol. Its IUPAC name is 3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID100984757
Molecular FormulaC17H16Cl2N4O2
Molecular Weight379.25 g/mol
Exact Mass378.07
IUPAC Name3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1-c1noc(C2CCNCC2)n1
InChIInChI=1S/C17H16Cl2N4O2/c1-9-13(15(22-24-9)14-11(18)3-2-4-12(14)19)16-21-17(25-23-16)10-5-7-20-8-6-10/h2-4,10,20H,5-8H2,1H3
InChIKeyOOEPVMZHWWXCSM-UHFFFAOYSA-N
XLogP4.47
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-piperidin-4-yl-1,2,4-oxadiazole (CID 100984757) is 3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-piperidin-4-yl-1,2,4-oxadiazole is Cc1onc(-c2c(Cl)cccc2Cl)c1-c1noc(C2CCNCC2)n1.
What is the InChIKey of 3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is OOEPVMZHWWXCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O2/c1-9-13(15(22-24-9)14-11(18)3-2-4-12(14)19)16-21-17(25-23-16)10-5-7-20-8-6-10/h2-4,10,20H,5-8H2,1H3.
What are the key properties of 3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-piperidin-4-yl-1,2,4-oxadiazole?
3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 379.25 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 100984757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).