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

C22H21ClF4N2O2 — CID 56610074

IUPAC4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CC2=CC(c3ccc(F)cc3)ON2)CC1
InChIInChI=1S/C22H21ClF4N2O2/c23-19-6-3-15(11-18(19)22(25,26)27)21(30)7-9-29(10-8-21)13-17-12-20(31-28-17)14-1-4-16(24)5-2-14/h1-6,11-12,20,28,30H,7-10,13H2
InChIKeyDKBSFBAWCURWCV-UHFFFAOYSA-N
MW456.87 g/mol
LogP4.94
Rot. Bonds4

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

4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol (PubChem CID 56610074) has the molecular formula C22H21ClF4N2O2 and a molecular weight of 456.87 g/mol. Its IUPAC name is 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol
PubChem CID56610074
Molecular FormulaC22H21ClF4N2O2
Molecular Weight456.87 g/mol
Exact Mass456.12
IUPAC Name4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CC2=CC(c3ccc(F)cc3)ON2)CC1
InChIInChI=1S/C22H21ClF4N2O2/c23-19-6-3-15(11-18(19)22(25,26)27)21(30)7-9-29(10-8-21)13-17-12-20(31-28-17)14-1-4-16(24)5-2-14/h1-6,11-12,20,28,30H,7-10,13H2
InChIKeyDKBSFBAWCURWCV-UHFFFAOYSA-N
XLogP4.94
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.87
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]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-Chloro-3-(trifluoromethyl)phenyl]-1-[5-(4-fluorophenyl)pentyl]piperidin-4-ol
CID 145980875
4-[4-Chloro-3-(trifluoromethyl)phenyl]-1-[[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol
CID 20492815
4-[4-Chloro-3-(trifluoromethyl)phenyl]-1-[4-(4-fluorophenyl)-4-hydroxybut-2-ynyl]piperidin-4-ol
CID 21449416
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(E)-4-(4-fluorophenyl)-4-hydroxybut-2-enyl]piperidin-4-ol
CID 21449423
4-[4-Chloro-3-(trifluoromethyl)phenyl]-1-[4-(4-fluorophenyl)-4-hydroxybut-2-enyl]piperidin-4-ol
CID 54350634
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-Chloro-3-(trifluoromethyl)phenyl]-1-(2-hydroxy-3-phenylpropyl)piperidin-4-ol
CID 3579992
1-[4,4-Bis(4-fluorophenyl)cyclohexen-1-yl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 154298389
4-(4-Chlorophenyl)-1-[(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)methyl]piperidin-4-ol
CID 57105730
4-(4-chlorophenyl)-1-[(5,5-diphenyl-2H-1,2-oxazol-3-yl)methyl]piperidin-4-ol
CID 57278440
4-(4-Chlorophenyl)-1-[3-(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)propyl]piperidin-4-ol
CID 90760458

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol (CID 56610074) is 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol is OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CC2=CC(c3ccc(F)cc3)ON2)CC1.
What is the InChIKey of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol?
The InChIKey is DKBSFBAWCURWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF4N2O2/c23-19-6-3-15(11-18(19)22(25,26)27)21(30)7-9-29(10-8-21)13-17-12-20(31-28-17)14-1-4-16(24)5-2-14/h1-6,11-12,20,28,30H,7-10,13H2.
What are the key properties of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol?
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol has a molecular weight of 456.87 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 56610074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).