5-(4-methylphenyl)-3-(4-methylpiperidin-1-yl)-4,5-dihydro-1,2-oxazole

C16H22N2O — CID 58126034

IUPAC5-(4-methylphenyl)-3-(4-methylpiperidin-1-yl)-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(C2CC(N3CCC(C)CC3)=NO2)cc1
InChIInChI=1S/C16H22N2O/c1-12-3-5-14(6-4-12)15-11-16(17-19-15)18-9-7-13(2)8-10-18/h3-6,13,15H,7-11H2,1-2H3
InChIKeyZMFGAEGEODEFGL-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.50
Rot. Bonds1

About 5-(4-methylphenyl)-3-(4-methylpiperidin-1-yl)-4,5-dihydro-1,2-oxazole

5-(4-methylphenyl)-3-(4-methylpiperidin-1-yl)-4,5-dihydro-1,2-oxazole (PubChem CID 58126034) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-(4-methylpiperidin-1-yl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-(4-methylpiperidin-1-yl)-4,5-dihydro-1,2-oxazole
PubChem CID58126034
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name5-(4-methylphenyl)-3-(4-methylpiperidin-1-yl)-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(C2CC(N3CCC(C)CC3)=NO2)cc1
InChIInChI=1S/C16H22N2O/c1-12-3-5-14(6-4-12)15-11-16(17-19-15)18-9-7-13(2)8-10-18/h3-6,13,15H,7-11H2,1-2H3
InChIKeyZMFGAEGEODEFGL-UHFFFAOYSA-N
XLogP3.50
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-(4-methylpiperidin-1-yl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(4-methylphenyl)-3-(4-methylpiperidin-1-yl)-4,5-dihydro-1,2-oxazole (CID 58126034) is 5-(4-methylphenyl)-3-(4-methylpiperidin-1-yl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(4-methylphenyl)-3-(4-methylpiperidin-1-yl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(4-methylphenyl)-3-(4-methylpiperidin-1-yl)-4,5-dihydro-1,2-oxazole is Cc1ccc(C2CC(N3CCC(C)CC3)=NO2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-(4-methylpiperidin-1-yl)-4,5-dihydro-1,2-oxazole?
The InChIKey is ZMFGAEGEODEFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-3-5-14(6-4-12)15-11-16(17-19-15)18-9-7-13(2)8-10-18/h3-6,13,15H,7-11H2,1-2H3.
What are the key properties of 5-(4-methylphenyl)-3-(4-methylpiperidin-1-yl)-4,5-dihydro-1,2-oxazole?
5-(4-methylphenyl)-3-(4-methylpiperidin-1-yl)-4,5-dihydro-1,2-oxazole has a molecular weight of 258.37 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-(4-methylpiperidin-1-yl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58126034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).