[1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol

C22H24FN3O3 — CID 134043042

IUPAC[1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol
SMILESOC(c1ccccc1)C1CCN(Cc2nc(COc3ccc(F)cc3)no2)CC1
InChIInChI=1S/C22H24FN3O3/c23-18-6-8-19(9-7-18)28-15-20-24-21(29-25-20)14-26-12-10-17(11-13-26)22(27)16-4-2-1-3-5-16/h1-9,17,22,27H,10-15H2
InChIKeyUQWADVPBVHFYRA-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.73
Rot. Bonds7

About [1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol

[1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol (PubChem CID 134043042) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is [1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol.

Molecular Properties

Compound Name[1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol
PubChem CID134043042
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name[1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol
SMILESOC(c1ccccc1)C1CCN(Cc2nc(COc3ccc(F)cc3)no2)CC1
InChIInChI=1S/C22H24FN3O3/c23-18-6-8-19(9-7-18)28-15-20-24-21(29-25-20)14-26-12-10-17(11-13-26)22(27)16-4-2-1-3-5-16/h1-9,17,22,27H,10-15H2
InChIKeyUQWADVPBVHFYRA-UHFFFAOYSA-N
XLogP3.73
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethanol
CID 111113774
5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 42095742
3-[(4-fluorophenoxy)methyl]-5-[[4-(2-methylpropoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 87022085
5-(azepan-1-ylmethyl)-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 86916726
phenyl-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 110883986
5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 45249830
(3S,4R)-1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-phenylpyrrolidin-3-amine
CID 120760770
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 55590615
(R)-phenyl-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 51931966
[4-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 42941292
[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol
CID 134056053
(S)-phenyl-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 36669511

Frequently Asked Questions

What is the IUPAC name of [1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol?
The IUPAC name of [1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol (CID 134043042) is [1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol.
What is the SMILES notation for [1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol?
The canonical SMILES for [1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol is OC(c1ccccc1)C1CCN(Cc2nc(COc3ccc(F)cc3)no2)CC1.
What is the InChIKey of [1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol?
The InChIKey is UQWADVPBVHFYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c23-18-6-8-19(9-7-18)28-15-20-24-21(29-25-20)14-26-12-10-17(11-13-26)22(27)16-4-2-1-3-5-16/h1-9,17,22,27H,10-15H2.
What are the key properties of [1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol?
[1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol has a molecular weight of 397.45 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol is sourced from PubChem (CID 134043042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).