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

C18H22N2O2 — CID 46427191

IUPAC(3,5-dimethylpiperidin-1-yl)-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CC(C)CC(C)C3)on2)cc1
InChIInChI=1S/C18H22N2O2/c1-12-4-6-15(7-5-12)16-9-17(22-19-16)18(21)20-10-13(2)8-14(3)11-20/h4-7,9,13-14H,8,10-11H2,1-3H3
InChIKeyQLXZJIONKZJCMI-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.77
Rot. Bonds2

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

(3,5-dimethylpiperidin-1-yl)-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone (PubChem CID 46427191) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
PubChem CID46427191
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CC(C)CC(C)C3)on2)cc1
InChIInChI=1S/C18H22N2O2/c1-12-4-6-15(7-5-12)16-9-17(22-19-16)18(21)20-10-13(2)8-14(3)11-20/h4-7,9,13-14H,8,10-11H2,1-3H3
InChIKeyQLXZJIONKZJCMI-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 86980129
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone;hydrochloride
CID 120659268
(2-methyl-1-oxo-1,4-thiazinan-4-yl)-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 166212020
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38408302
[3-(1-aminoethyl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 119593498
(3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51072597
(3S,4S)-4-methyl-1-(3-phenyl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952058
[4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38416794
[4-[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55666666
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 9346296
[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38429477

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone (CID 46427191) is (3,5-dimethylpiperidin-1-yl)-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CC(C)CC(C)C3)on2)cc1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone?
The InChIKey is QLXZJIONKZJCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-4-6-15(7-5-12)16-9-17(22-19-16)18(21)20-10-13(2)8-14(3)11-20/h4-7,9,13-14H,8,10-11H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone?
(3,5-dimethylpiperidin-1-yl)-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone has a molecular weight of 298.39 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 46427191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).