4-(4-chlorophenyl)-1-[3-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)propyl]piperidin-4-ol

C23H27ClN2O2 — CID 90760458

IUPAC4-(4-chlorophenyl)-1-[3-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)propyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCCC2C=C(c3ccccc3)NO2)CC1
InChIInChI=1S/C23H27ClN2O2/c24-20-10-8-19(9-11-20)23(27)12-15-26(16-13-23)14-4-7-21-17-22(25-28-21)18-5-2-1-3-6-18/h1-3,5-6,8-11,17,21,25,27H,4,7,12-16H2
InChIKeyYGLALBIKWKTRSQ-UHFFFAOYSA-N
MW398.93 g/mol
LogP4.35
Rot. Bonds6

About 4-(4-chlorophenyl)-1-[3-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)propyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[3-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)propyl]piperidin-4-ol (PubChem CID 90760458) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[3-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)propyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[3-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)propyl]piperidin-4-ol
PubChem CID90760458
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC Name4-(4-chlorophenyl)-1-[3-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)propyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCCC2C=C(c3ccccc3)NO2)CC1
InChIInChI=1S/C23H27ClN2O2/c24-20-10-8-19(9-11-20)23(27)12-15-26(16-13-23)14-4-7-21-17-22(25-28-21)18-5-2-1-3-6-18/h1-3,5-6,8-11,17,21,25,27H,4,7,12-16H2
InChIKeyYGLALBIKWKTRSQ-UHFFFAOYSA-N
XLogP4.35
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-chlorophenyl)-1-[3-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)propyl]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

Related Compounds

4-(4-Chlorophenyl)-alpha-(4-fluorophenyl)-4-hydroxy-1-piperidinebutanol
CID 119265
Dihydrohaloperidol, (S)-
CID 16048564
1-[(1S,2S)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol
CID 10020476
Dihydrohaloperidol, (R)-
CID 24867245
4-(2-(Aminomethyl)phenyl)-1-(bis(4-chlorophenyl)methyl)piperidin-4-ol
CID 44430046
1-Benzyl-4-(4-chlorophenyl)piperidin-4-ol
CID 15907328
4-(4-Chlorophenyl)-1-(4-hydroxy-4-phenylbutyl)piperidin-4-ol
CID 11588534
4-(4-Chlorophenyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol
CID 2809778
4-(4-Chlorophenyl)-1-[[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol
CID 13178172
4-(4-chlorophenyl)-1-[(E)-4-(4-fluorophenyl)-4-hydroxybut-2-enyl]piperidin-4-ol
CID 13292487
2-(4-Chlorophenyl)-1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-ol
CID 23362133
1-[4-(p-Fluorophenyl)-4-hydroxy-2-butenyl]-4-(p-chlorophenyl)-4-hydroxypiperidine
CID 53661636

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[3-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)propyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[3-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)propyl]piperidin-4-ol (CID 90760458) is 4-(4-chlorophenyl)-1-[3-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)propyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[3-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)propyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[3-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)propyl]piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(CCCC2C=C(c3ccccc3)NO2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[3-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)propyl]piperidin-4-ol?
The InChIKey is YGLALBIKWKTRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c24-20-10-8-19(9-11-20)23(27)12-15-26(16-13-23)14-4-7-21-17-22(25-28-21)18-5-2-1-3-6-18/h1-3,5-6,8-11,17,21,25,27H,4,7,12-16H2.
What are the key properties of 4-(4-chlorophenyl)-1-[3-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)propyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[3-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)propyl]piperidin-4-ol has a molecular weight of 398.93 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[3-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)propyl]piperidin-4-ol is sourced from PubChem (CID 90760458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).