3-[(4-methoxypiperidin-1-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole

C16H22N2O2 — CID 13178185

IUPAC3-[(4-methoxypiperidin-1-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole
SMILESCOC1CCN(CC2=NOC(c3ccccc3)C2)CC1
InChIInChI=1S/C16H22N2O2/c1-19-15-7-9-18(10-8-15)12-14-11-16(20-17-14)13-5-3-2-4-6-13/h2-6,15-16H,7-12H2,1H3
InChIKeyHGLJVMCMIAYYNX-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.61
Rot. Bonds4

About 3-[(4-methoxypiperidin-1-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole

3-[(4-methoxypiperidin-1-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 13178185) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[(4-methoxypiperidin-1-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-[(4-methoxypiperidin-1-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID13178185
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-[(4-methoxypiperidin-1-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole
SMILESCOC1CCN(CC2=NOC(c3ccccc3)C2)CC1
InChIInChI=1S/C16H22N2O2/c1-19-15-7-9-18(10-8-15)12-14-11-16(20-17-14)13-5-3-2-4-6-13/h2-6,15-16H,7-12H2,1H3
InChIKeyHGLJVMCMIAYYNX-UHFFFAOYSA-N
XLogP2.61
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxypiperidin-1-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-[(4-methoxypiperidin-1-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole (CID 13178185) is 3-[(4-methoxypiperidin-1-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-[(4-methoxypiperidin-1-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-[(4-methoxypiperidin-1-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole is COC1CCN(CC2=NOC(c3ccccc3)C2)CC1.
What is the InChIKey of 3-[(4-methoxypiperidin-1-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is HGLJVMCMIAYYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-19-15-7-9-18(10-8-15)12-14-11-16(20-17-14)13-5-3-2-4-6-13/h2-6,15-16H,7-12H2,1H3.
What are the key properties of 3-[(4-methoxypiperidin-1-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole?
3-[(4-methoxypiperidin-1-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 274.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxypiperidin-1-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 13178185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).