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

C17H20N2O2 — CID 1093778

IUPAC[5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC(C)CC3)no2)cc1
InChIInChI=1S/C17H20N2O2/c1-12-3-5-14(6-4-12)16-11-15(18-21-16)17(20)19-9-7-13(2)8-10-19/h3-6,11,13H,7-10H2,1-2H3
InChIKeyONKNHKFXMQAULV-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.52
Rot. Bonds2

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

[5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 1093778) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is [5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID1093778
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name[5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC(C)CC3)no2)cc1
InChIInChI=1S/C17H20N2O2/c1-12-3-5-14(6-4-12)16-11-15(18-21-16)17(20)19-9-7-13(2)8-10-19/h3-6,11,13H,7-10H2,1-2H3
InChIKeyONKNHKFXMQAULV-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

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Related Compounds

[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 22427451
(2,6-dimethylpiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
CID 3158164
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119562656
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[5-(3-methylphenyl)-1,2-oxazol-3-yl]methanone
CID 92757207
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 15997087
1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 1093757
N-(5-methyl-2-pyridinyl)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 55810051
1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 91953801
[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 92758389
azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone
CID 135573124
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 90483007

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone (CID 1093778) is [5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone is Cc1ccc(-c2cc(C(=O)N3CCC(C)CC3)no2)cc1.
What is the InChIKey of [5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is ONKNHKFXMQAULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-3-5-14(6-4-12)16-11-15(18-21-16)17(20)19-9-7-13(2)8-10-19/h3-6,11,13H,7-10H2,1-2H3.
What are the key properties of [5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
[5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-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 [5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 1093778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).