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

C17H20N2O2 — CID 86980129

IUPAC[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCC(C)C3)on2)cc1
InChIInChI=1S/C17H20N2O2/c1-12-5-7-14(8-6-12)15-10-16(21-18-15)17(20)19-9-3-4-13(2)11-19/h5-8,10,13H,3-4,9,11H2,1-2H3
InChIKeyDGMWRGYHGJPYIM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.52
Rot. Bonds2

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

[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 86980129) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is [3-(4-methylphenyl)-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID86980129
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCC(C)C3)on2)cc1
InChIInChI=1S/C17H20N2O2/c1-12-5-7-14(8-6-12)15-10-16(21-18-15)17(20)19-9-3-4-13(2)11-19/h5-8,10,13H,3-4,9,11H2,1-2H3
InChIKeyDGMWRGYHGJPYIM-UHFFFAOYSA-N
XLogP3.52
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-(4-methylphenyl)-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-dimethylpiperidin-1-yl)-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 46427191
[3-(1-aminoethyl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 119593498
(2-methyl-1-oxo-1,4-thiazinan-4-yl)-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 166212020
1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 119167795
[4-[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55666666
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 92628344
[(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-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 124938243
[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38429477
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 9346121
[4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38416794
[2-(1-aminoethyl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 119435086

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-(4-methylphenyl)-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone (CID 86980129) is [3-(4-methylphenyl)-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(4-methylphenyl)-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(4-methylphenyl)-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone is Cc1ccc(-c2cc(C(=O)N3CCCC(C)C3)on2)cc1.
What is the InChIKey of [3-(4-methylphenyl)-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is DGMWRGYHGJPYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-5-7-14(8-6-12)15-10-16(21-18-15)17(20)19-9-3-4-13(2)11-19/h5-8,10,13H,3-4,9,11H2,1-2H3.
What are the key properties of [3-(4-methylphenyl)-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone?
[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 86980129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).