2-[3-(piperidin-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole

C15H20N2O — CID 117363161

IUPAC2-[3-(piperidin-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1cc(CC2CCNCC2)cc(C2=NCCO2)c1
InChIInChI=1S/C15H20N2O/c1-2-13(10-12-4-6-16-7-5-12)11-14(3-1)15-17-8-9-18-15/h1-3,11-12,16H,4-10H2
InChIKeyVDKVMOBJAXEUDF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.01
Rot. Bonds3

About 2-[3-(piperidin-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole

2-[3-(piperidin-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 117363161) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[3-(piperidin-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(piperidin-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID117363161
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[3-(piperidin-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1cc(CC2CCNCC2)cc(C2=NCCO2)c1
InChIInChI=1S/C15H20N2O/c1-2-13(10-12-4-6-16-7-5-12)11-14(3-1)15-17-8-9-18-15/h1-3,11-12,16H,4-10H2
InChIKeyVDKVMOBJAXEUDF-UHFFFAOYSA-N
XLogP2.01
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(piperidin-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[3-(piperidin-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 117363161) is 2-[3-(piperidin-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[3-(piperidin-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[3-(piperidin-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole is c1cc(CC2CCNCC2)cc(C2=NCCO2)c1.
What is the InChIKey of 2-[3-(piperidin-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is VDKVMOBJAXEUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-13(10-12-4-6-16-7-5-12)11-14(3-1)15-17-8-9-18-15/h1-3,11-12,16H,4-10H2.
What are the key properties of 2-[3-(piperidin-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole?
2-[3-(piperidin-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 244.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(piperidin-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 117363161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).