2-[(2-piperidin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)methyl]phenol

C15H20N2O2 — CID 115061904

IUPAC2-[(2-piperidin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)methyl]phenol
SMILESOc1ccccc1CC1COC(C2CCCNC2)=N1
InChIInChI=1S/C15H20N2O2/c18-14-6-2-1-4-11(14)8-13-10-19-15(17-13)12-5-3-7-16-9-12/h1-2,4,6,12-13,16,18H,3,5,7-10H2
InChIKeyJEJYCXDPMCTGPO-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.73
Rot. Bonds3

About 2-[(2-piperidin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)methyl]phenol

2-[(2-piperidin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)methyl]phenol (PubChem CID 115061904) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[(2-piperidin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(2-piperidin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)methyl]phenol
PubChem CID115061904
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[(2-piperidin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)methyl]phenol
SMILESOc1ccccc1CC1COC(C2CCCNC2)=N1
InChIInChI=1S/C15H20N2O2/c18-14-6-2-1-4-11(14)8-13-10-19-15(17-13)12-5-3-7-16-9-12/h1-2,4,6,12-13,16,18H,3,5,7-10H2
InChIKeyJEJYCXDPMCTGPO-UHFFFAOYSA-N
XLogP1.73
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-piperidin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)methyl]phenol?
The IUPAC name of 2-[(2-piperidin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)methyl]phenol (CID 115061904) is 2-[(2-piperidin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)methyl]phenol.
What is the SMILES notation for 2-[(2-piperidin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)methyl]phenol?
The canonical SMILES for 2-[(2-piperidin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)methyl]phenol is Oc1ccccc1CC1COC(C2CCCNC2)=N1.
What is the InChIKey of 2-[(2-piperidin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)methyl]phenol?
The InChIKey is JEJYCXDPMCTGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-14-6-2-1-4-11(14)8-13-10-19-15(17-13)12-5-3-7-16-9-12/h1-2,4,6,12-13,16,18H,3,5,7-10H2.
What are the key properties of 2-[(2-piperidin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)methyl]phenol?
2-[(2-piperidin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)methyl]phenol has a molecular weight of 260.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-piperidin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)methyl]phenol is sourced from PubChem (CID 115061904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).