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

C24H25F3N2O3 — CID 26328797

IUPAC4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESCOc1cccc(-c2cc(CC3(O)CCN(Cc4ccc(C(F)(F)F)cc4)CC3)on2)c1
InChIInChI=1S/C24H25F3N2O3/c1-31-20-4-2-3-18(13-20)22-14-21(32-28-22)15-23(30)9-11-29(12-10-23)16-17-5-7-19(8-6-17)24(25,26)27/h2-8,13-14,30H,9-12,15-16H2,1H3
InChIKeyVJEVBFQVGQXZHM-UHFFFAOYSA-N
MW446.47 g/mol
LogP4.94
Rot. Bonds6

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

4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (PubChem CID 26328797) has the molecular formula C24H25F3N2O3 and a molecular weight of 446.47 g/mol. Its IUPAC name is 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
PubChem CID26328797
Molecular FormulaC24H25F3N2O3
Molecular Weight446.47 g/mol
Exact Mass446.18
IUPAC Name4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESCOc1cccc(-c2cc(CC3(O)CCN(Cc4ccc(C(F)(F)F)cc4)CC3)on2)c1
InChIInChI=1S/C24H25F3N2O3/c1-31-20-4-2-3-18(13-20)22-14-21(32-28-22)15-23(30)9-11-29(12-10-23)16-17-5-7-19(8-6-17)24(25,26)27/h2-8,13-14,30H,9-12,15-16H2,1H3
InChIKeyVJEVBFQVGQXZHM-UHFFFAOYSA-N
XLogP4.94
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(4,4,4-trifluorobutyl)piperidin-4-ol
CID 26325119
1-[[5-(hydroxymethyl)furan-2-yl]methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol
CID 91828345
4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2R)-2-methylbutyl]piperidin-4-ol
CID 42383406
1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol
CID 28685301
4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxan-4-yl)piperidin-4-ol
CID 42565711
1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol
CID 26326655
[4-hydroxy-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 56911451
4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(3-phenylpropyl)piperidin-4-ol
CID 23724014
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 80702504
5-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3-phenoxyphenyl)-1,2-oxazole
CID 142647992
5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-(4-methoxyphenyl)-1,2-oxazole
CID 24617569
1-[(1-ethylbenzimidazol-2-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
CID 42596543

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (CID 26328797) is 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is COc1cccc(-c2cc(CC3(O)CCN(Cc4ccc(C(F)(F)F)cc4)CC3)on2)c1.
What is the InChIKey of 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The InChIKey is VJEVBFQVGQXZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O3/c1-31-20-4-2-3-18(13-20)22-14-21(32-28-22)15-23(30)9-11-29(12-10-23)16-17-5-7-19(8-6-17)24(25,26)27/h2-8,13-14,30H,9-12,15-16H2,1H3.
What are the key properties of 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol has a molecular weight of 446.47 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 26328797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).