4-(hydroxymethyl)-1-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperidin-3-ol

C17H22N2O3 — CID 119036444

IUPAC4-(hydroxymethyl)-1-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperidin-3-ol
SMILESCC(c1ncc(-c2ccccc2)o1)N1CCC(CO)C(O)C1
InChIInChI=1S/C17H22N2O3/c1-12(19-8-7-14(11-20)15(21)10-19)17-18-9-16(22-17)13-5-3-2-4-6-13/h2-6,9,12,14-15,20-21H,7-8,10-11H2,1H3
InChIKeyQMFHRAVTFGDYSI-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.08
Rot. Bonds4

About 4-(hydroxymethyl)-1-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperidin-3-ol

4-(hydroxymethyl)-1-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperidin-3-ol (PubChem CID 119036444) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperidin-3-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperidin-3-ol
PubChem CID119036444
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name4-(hydroxymethyl)-1-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperidin-3-ol
SMILESCC(c1ncc(-c2ccccc2)o1)N1CCC(CO)C(O)C1
InChIInChI=1S/C17H22N2O3/c1-12(19-8-7-14(11-20)15(21)10-19)17-18-9-16(22-17)13-5-3-2-4-6-13/h2-6,9,12,14-15,20-21H,7-8,10-11H2,1H3
InChIKeyQMFHRAVTFGDYSI-UHFFFAOYSA-N
XLogP2.08
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperidin-3-ol?
The IUPAC name of 4-(hydroxymethyl)-1-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperidin-3-ol (CID 119036444) is 4-(hydroxymethyl)-1-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperidin-3-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperidin-3-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperidin-3-ol is CC(c1ncc(-c2ccccc2)o1)N1CCC(CO)C(O)C1.
What is the InChIKey of 4-(hydroxymethyl)-1-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperidin-3-ol?
The InChIKey is QMFHRAVTFGDYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12(19-8-7-14(11-20)15(21)10-19)17-18-9-16(22-17)13-5-3-2-4-6-13/h2-6,9,12,14-15,20-21H,7-8,10-11H2,1H3.
What are the key properties of 4-(hydroxymethyl)-1-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperidin-3-ol?
4-(hydroxymethyl)-1-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperidin-3-ol has a molecular weight of 302.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperidin-3-ol is sourced from PubChem (CID 119036444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).