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

C18H22N2O2 — CID 3158164

IUPAC(2,6-dimethylpiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3C(C)CCCC3C)no2)cc1
InChIInChI=1S/C18H22N2O2/c1-12-7-9-15(10-8-12)17-11-16(19-22-17)18(21)20-13(2)5-4-6-14(20)3/h7-11,13-14H,4-6H2,1-3H3
InChIKeyOPVZKZJOLPZLIC-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.05
Rot. Bonds2

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

(2,6-dimethylpiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone (PubChem CID 3158164) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
PubChem CID3158164
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(2,6-dimethylpiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3C(C)CCCC3C)no2)cc1
InChIInChI=1S/C18H22N2O2/c1-12-7-9-15(10-8-12)17-11-16(19-22-17)18(21)20-13(2)5-4-6-14(20)3/h7-11,13-14H,4-6H2,1-3H3
InChIKeyOPVZKZJOLPZLIC-UHFFFAOYSA-N
XLogP4.05
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone (CID 3158164) is (2,6-dimethylpiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone is Cc1ccc(-c2cc(C(=O)N3C(C)CCCC3C)no2)cc1.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is OPVZKZJOLPZLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-7-9-15(10-8-12)17-11-16(19-22-17)18(21)20-13(2)5-4-6-14(20)3/h7-11,13-14H,4-6H2,1-3H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone?
(2,6-dimethylpiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 298.39 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 3158164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).