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

C16H22N2O2 — CID 68969689

IUPAC4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperidin-4-ol
SMILESCC1(C)COC(c2ccc(C3(O)CCNCC3)cc2)=N1
InChIInChI=1S/C16H22N2O2/c1-15(2)11-20-14(18-15)12-3-5-13(6-4-12)16(19)7-9-17-10-8-16/h3-6,17,19H,7-11H2,1-2H3
InChIKeyUNPBISIHDFZSDG-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.81
Rot. Bonds2

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

4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperidin-4-ol (PubChem CID 68969689) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperidin-4-ol
PubChem CID68969689
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperidin-4-ol
SMILESCC1(C)COC(c2ccc(C3(O)CCNCC3)cc2)=N1
InChIInChI=1S/C16H22N2O2/c1-15(2)11-20-14(18-15)12-3-5-13(6-4-12)16(19)7-9-17-10-8-16/h3-6,17,19H,7-11H2,1-2H3
InChIKeyUNPBISIHDFZSDG-UHFFFAOYSA-N
XLogP1.81
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperidin-4-ol?
The IUPAC name of 4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperidin-4-ol (CID 68969689) is 4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperidin-4-ol.
What is the SMILES notation for 4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperidin-4-ol?
The canonical SMILES for 4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperidin-4-ol is CC1(C)COC(c2ccc(C3(O)CCNCC3)cc2)=N1.
What is the InChIKey of 4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperidin-4-ol?
The InChIKey is UNPBISIHDFZSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-15(2)11-20-14(18-15)12-3-5-13(6-4-12)16(19)7-9-17-10-8-16/h3-6,17,19H,7-11H2,1-2H3.
What are the key properties of 4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperidin-4-ol?
4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperidin-4-ol has a molecular weight of 274.36 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]piperidin-4-ol is sourced from PubChem (CID 68969689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).