5-(5-methoxy-2,4-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole

C19H27N3O2 — CID 162486492

IUPAC5-(5-methoxy-2,4-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2nc(C3CCN(C(C)C)CC3)no2)c(C)cc1C
InChIInChI=1S/C19H27N3O2/c1-12(2)22-8-6-15(7-9-22)18-20-19(24-21-18)16-11-17(23-5)14(4)10-13(16)3/h10-12,15H,6-9H2,1-5H3
InChIKeyISQPYMYEJKJCGC-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.95
Rot. Bonds4

About 5-(5-methoxy-2,4-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole

5-(5-methoxy-2,4-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 162486492) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 5-(5-methoxy-2,4-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-methoxy-2,4-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID162486492
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name5-(5-methoxy-2,4-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2nc(C3CCN(C(C)C)CC3)no2)c(C)cc1C
InChIInChI=1S/C19H27N3O2/c1-12(2)22-8-6-15(7-9-22)18-20-19(24-21-18)16-11-17(23-5)14(4)10-13(16)3/h10-12,15H,6-9H2,1-5H3
InChIKeyISQPYMYEJKJCGC-UHFFFAOYSA-N
XLogP3.95
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-2,4-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-methoxy-2,4-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole (CID 162486492) is 5-(5-methoxy-2,4-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-methoxy-2,4-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-methoxy-2,4-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole is COc1cc(-c2nc(C3CCN(C(C)C)CC3)no2)c(C)cc1C.
What is the InChIKey of 5-(5-methoxy-2,4-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is ISQPYMYEJKJCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-12(2)22-8-6-15(7-9-22)18-20-19(24-21-18)16-11-17(23-5)14(4)10-13(16)3/h10-12,15H,6-9H2,1-5H3.
What are the key properties of 5-(5-methoxy-2,4-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole?
5-(5-methoxy-2,4-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 329.44 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-2,4-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 162486492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).