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

C15H20N2O — CID 25241892

IUPAC3-(4-methylpiperidin-1-yl)-5-phenyl-4,5-dihydro-1,2-oxazole
SMILESCC1CCN(C2=NOC(c3ccccc3)C2)CC1
InChIInChI=1S/C15H20N2O/c1-12-7-9-17(10-8-12)15-11-14(18-16-15)13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3
InChIKeySWIGSSUMSBQCNJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.19
Rot. Bonds1

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

3-(4-methylpiperidin-1-yl)-5-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 25241892) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-5-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-5-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID25241892
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(4-methylpiperidin-1-yl)-5-phenyl-4,5-dihydro-1,2-oxazole
SMILESCC1CCN(C2=NOC(c3ccccc3)C2)CC1
InChIInChI=1S/C15H20N2O/c1-12-7-9-17(10-8-12)15-11-14(18-16-15)13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3
InChIKeySWIGSSUMSBQCNJ-UHFFFAOYSA-N
XLogP3.19
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-5-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-5-phenyl-4,5-dihydro-1,2-oxazole (CID 25241892) is 3-(4-methylpiperidin-1-yl)-5-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-5-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-5-phenyl-4,5-dihydro-1,2-oxazole is CC1CCN(C2=NOC(c3ccccc3)C2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-5-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is SWIGSSUMSBQCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-7-9-17(10-8-12)15-11-14(18-16-15)13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)-5-phenyl-4,5-dihydro-1,2-oxazole?
3-(4-methylpiperidin-1-yl)-5-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 244.34 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-5-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 25241892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).