(2,6-dimethylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone

C17H20N2O2 — CID 3158157

IUPAC(2,6-dimethylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H20N2O2/c1-12-7-6-8-13(2)19(12)17(20)15-11-16(21-18-15)14-9-4-3-5-10-14/h3-5,9-13H,6-8H2,1-2H3
InChIKeyZLVKFBHADIKPPB-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.74
Rot. Bonds2

About (2,6-dimethylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone

(2,6-dimethylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone (PubChem CID 3158157) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
PubChem CID3158157
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(2,6-dimethylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H20N2O2/c1-12-7-6-8-13(2)19(12)17(20)15-11-16(21-18-15)14-9-4-3-5-10-14/h3-5,9-13H,6-8H2,1-2H3
InChIKeyZLVKFBHADIKPPB-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Propyl-5-(3-p-tolylisoxazol-5-yl)-1,2,3,6-tetrahydropyridine
CID 9817231
N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
Morpholin-4-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093793
5-(4-Methoxyphenyl)-3-[(pyrrolidin-1-yl)carbonyl]-1,2-oxazole
CID 6619182
4-{[5-(4-Methoxyphenyl)-1,2-oxazol-3-yl]carbonyl}morpholine
CID 17252835
1-benzyl-5-(3,5-dimethylisoxazol-4-yl)pyridin-2(1H)-one
CID 76683643
5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 3243805
Tert-butyl 3-(3-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)isoxazol-5-yl)phenylcarbamate
CID 24951312
5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl]-1,2-oxazole-3-carboxamide
CID 118557322
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093787

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone (CID 3158157) is (2,6-dimethylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone is CC1CCCC(C)N1C(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone?
The InChIKey is ZLVKFBHADIKPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-7-6-8-13(2)19(12)17(20)15-11-16(21-18-15)14-9-4-3-5-10-14/h3-5,9-13H,6-8H2,1-2H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone?
(2,6-dimethylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 3.74, 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-phenyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 3158157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).