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

C21H23ClN2O2 — CID 57105730

IUPAC4-(4-chlorophenyl)-1-[(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)methyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CC2=CC(c3ccccc3)ON2)CC1
InChIInChI=1S/C21H23ClN2O2/c22-18-8-6-17(7-9-18)21(25)10-12-24(13-11-21)15-19-14-20(26-23-19)16-4-2-1-3-5-16/h1-9,14,20,23,25H,10-13,15H2
InChIKeyHHYJYSBINQIZNI-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.78
Rot. Bonds4

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

4-(4-chlorophenyl)-1-[(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)methyl]piperidin-4-ol (PubChem CID 57105730) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)methyl]piperidin-4-ol
PubChem CID57105730
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name4-(4-chlorophenyl)-1-[(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)methyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CC2=CC(c3ccccc3)ON2)CC1
InChIInChI=1S/C21H23ClN2O2/c22-18-8-6-17(7-9-18)21(25)10-12-24(13-11-21)15-19-14-20(26-23-19)16-4-2-1-3-5-16/h1-9,14,20,23,25H,10-13,15H2
InChIKeyHHYJYSBINQIZNI-UHFFFAOYSA-N
XLogP3.78
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-chlorophenyl)-1-[(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)methyl]piperidin-4-ol with MolForge

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Related Compounds

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
1-[4-(p-Fluorophenyl)-4-hydroxy-2-butenyl]-4-(p-chlorophenyl)-4-hydroxypiperidine
CID 53661636
4-[4-Chloro-3-(trifluoromethyl)phenyl]-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol
CID 56610074
4-(4-Chlorophenyl)-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol
CID 56616338
1-[[5,5-bis(4-fluorophenyl)-2H-1,2-oxazol-3-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol
CID 56617415
4-(4-Chlorophenyl)-1-[4-(4-chlorophenyl)-4-hydroxybutyl]-4-piperidinol
CID 21560005
1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-phenylpiperidin-4-ol
CID 6055189
4-(4-Chlorophenyl)-1-[3-(cyclohexylamino)propyl]piperidin-4-ol
CID 17823235
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-phenylpiperidin-4-ol
CID 18649761

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)methyl]piperidin-4-ol (CID 57105730) is 4-(4-chlorophenyl)-1-[(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)methyl]piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(CC2=CC(c3ccccc3)ON2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)methyl]piperidin-4-ol?
The InChIKey is HHYJYSBINQIZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-18-8-6-17(7-9-18)21(25)10-12-24(13-11-21)15-19-14-20(26-23-19)16-4-2-1-3-5-16/h1-9,14,20,23,25H,10-13,15H2.
What are the key properties of 4-(4-chlorophenyl)-1-[(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)methyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)methyl]piperidin-4-ol has a molecular weight of 370.88 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 57105730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).