4-(5-piperidin-4-yl-1,2-oxazol-4-yl)phenol

C14H16N2O2 — CID 115053947

IUPAC4-(5-piperidin-4-yl-1,2-oxazol-4-yl)phenol
SMILESOc1ccc(-c2cnoc2C2CCNCC2)cc1
InChIInChI=1S/C14H16N2O2/c17-12-3-1-10(2-4-12)13-9-16-18-14(13)11-5-7-15-8-6-11/h1-4,9,11,15,17H,5-8H2
InChIKeyAUJCCRUHJGFPHH-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.51
Rot. Bonds2

About 4-(5-piperidin-4-yl-1,2-oxazol-4-yl)phenol

4-(5-piperidin-4-yl-1,2-oxazol-4-yl)phenol (PubChem CID 115053947) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(5-piperidin-4-yl-1,2-oxazol-4-yl)phenol.

Molecular Properties

Compound Name4-(5-piperidin-4-yl-1,2-oxazol-4-yl)phenol
PubChem CID115053947
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-(5-piperidin-4-yl-1,2-oxazol-4-yl)phenol
SMILESOc1ccc(-c2cnoc2C2CCNCC2)cc1
InChIInChI=1S/C14H16N2O2/c17-12-3-1-10(2-4-12)13-9-16-18-14(13)11-5-7-15-8-6-11/h1-4,9,11,15,17H,5-8H2
InChIKeyAUJCCRUHJGFPHH-UHFFFAOYSA-N
XLogP2.51
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-piperidin-4-yl-1,2-oxazol-4-yl)phenol?
The IUPAC name of 4-(5-piperidin-4-yl-1,2-oxazol-4-yl)phenol (CID 115053947) is 4-(5-piperidin-4-yl-1,2-oxazol-4-yl)phenol.
What is the SMILES notation for 4-(5-piperidin-4-yl-1,2-oxazol-4-yl)phenol?
The canonical SMILES for 4-(5-piperidin-4-yl-1,2-oxazol-4-yl)phenol is Oc1ccc(-c2cnoc2C2CCNCC2)cc1.
What is the InChIKey of 4-(5-piperidin-4-yl-1,2-oxazol-4-yl)phenol?
The InChIKey is AUJCCRUHJGFPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-12-3-1-10(2-4-12)13-9-16-18-14(13)11-5-7-15-8-6-11/h1-4,9,11,15,17H,5-8H2.
What are the key properties of 4-(5-piperidin-4-yl-1,2-oxazol-4-yl)phenol?
4-(5-piperidin-4-yl-1,2-oxazol-4-yl)phenol has a molecular weight of 244.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-piperidin-4-yl-1,2-oxazol-4-yl)phenol is sourced from PubChem (CID 115053947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).