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

C14H18N2O2 — CID 115061922

IUPAC3-(2-piperidin-2-yl-4,5-dihydro-1,3-oxazol-4-yl)phenol
SMILESOc1cccc(C2COC(C3CCCCN3)=N2)c1
InChIInChI=1S/C14H18N2O2/c17-11-5-3-4-10(8-11)13-9-18-14(16-13)12-6-1-2-7-15-12/h3-5,8,12-13,15,17H,1-2,6-7,9H2
InChIKeyHQRFTULODRSCME-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.00
Rot. Bonds2

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

3-(2-piperidin-2-yl-4,5-dihydro-1,3-oxazol-4-yl)phenol (PubChem CID 115061922) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(2-piperidin-2-yl-4,5-dihydro-1,3-oxazol-4-yl)phenol.

Molecular Properties

Compound Name3-(2-piperidin-2-yl-4,5-dihydro-1,3-oxazol-4-yl)phenol
PubChem CID115061922
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-(2-piperidin-2-yl-4,5-dihydro-1,3-oxazol-4-yl)phenol
SMILESOc1cccc(C2COC(C3CCCCN3)=N2)c1
InChIInChI=1S/C14H18N2O2/c17-11-5-3-4-10(8-11)13-9-18-14(16-13)12-6-1-2-7-15-12/h3-5,8,12-13,15,17H,1-2,6-7,9H2
InChIKeyHQRFTULODRSCME-UHFFFAOYSA-N
XLogP2.00
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-piperidin-2-yl-4,5-dihydro-1,3-oxazol-4-yl)phenol with MolForge

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

Launch Full Analysis

Related Compounds

4-(3-fluorophenyl)-2-piperidin-2-yl-4,5-dihydro-1,3-oxazole
CID 115061919
4-(3-bromophenyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole
CID 115061779
3-[(2S)-piperidin-2-yl]phenol
CID 55277853
4-(2-methoxyphenyl)-2-piperidin-2-yl-4,5-dihydro-1,3-oxazole
CID 115061930
3-[2-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-4-yl]phenol
CID 84685747
4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride
CID 171195341
2-[(2R)-piperidin-2-yl]benzene-1,3-diol
CID 130679710
4-piperidin-2-ylphenol
CID 19711202
(2S)-2-phenylpiperidine
CID 10997356
2-piperidin-2-yl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 115061939
6-[(2R)-piperidin-2-yl]naphthalen-2-ol
CID 171195375
(2R)-2-(3-iodophenyl)piperidine
CID 7048045

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-2-yl-4,5-dihydro-1,3-oxazol-4-yl)phenol?
The IUPAC name of 3-(2-piperidin-2-yl-4,5-dihydro-1,3-oxazol-4-yl)phenol (CID 115061922) is 3-(2-piperidin-2-yl-4,5-dihydro-1,3-oxazol-4-yl)phenol.
What is the SMILES notation for 3-(2-piperidin-2-yl-4,5-dihydro-1,3-oxazol-4-yl)phenol?
The canonical SMILES for 3-(2-piperidin-2-yl-4,5-dihydro-1,3-oxazol-4-yl)phenol is Oc1cccc(C2COC(C3CCCCN3)=N2)c1.
What is the InChIKey of 3-(2-piperidin-2-yl-4,5-dihydro-1,3-oxazol-4-yl)phenol?
The InChIKey is HQRFTULODRSCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-11-5-3-4-10(8-11)13-9-18-14(16-13)12-6-1-2-7-15-12/h3-5,8,12-13,15,17H,1-2,6-7,9H2.
What are the key properties of 3-(2-piperidin-2-yl-4,5-dihydro-1,3-oxazol-4-yl)phenol?
3-(2-piperidin-2-yl-4,5-dihydro-1,3-oxazol-4-yl)phenol has a molecular weight of 246.31 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-2-yl-4,5-dihydro-1,3-oxazol-4-yl)phenol is sourced from PubChem (CID 115061922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).