(S)-phenyl-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol

C19H21N3O2S — CID 36669511

IUPAC(S)-phenyl-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
SMILESO[C@H](c1ccccc1)C1CCN(Cc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C19H21N3O2S/c23-18(14-5-2-1-3-6-14)15-8-10-22(11-9-15)13-17-20-19(21-24-17)16-7-4-12-25-16/h1-7,12,15,18,23H,8-11,13H2/t18-/m1/s1
InChIKeyRUYLNTGVGATJSG-GOSISDBHSA-N
MW355.46 g/mol
LogP3.74
Rot. Bonds5

About (S)-phenyl-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol

(S)-phenyl-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol (PubChem CID 36669511) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is (S)-phenyl-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name(S)-phenyl-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
PubChem CID36669511
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name(S)-phenyl-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
SMILESO[C@H](c1ccccc1)C1CCN(Cc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C19H21N3O2S/c23-18(14-5-2-1-3-6-14)15-8-10-22(11-9-15)13-17-20-19(21-24-17)16-7-4-12-25-16/h1-7,12,15,18,23H,8-11,13H2/t18-/m1/s1
InChIKeyRUYLNTGVGATJSG-GOSISDBHSA-N
XLogP3.74
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 110883986
(R)-phenyl-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 51931966
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 55690694
[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol
CID 134056053
(S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 26407832
2-phenyl-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one
CID 46533225
5-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 25377720
N-propan-2-yl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928606
N-[(2,4-dimethylphenyl)-phenylmethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43929009
3-propan-2-yl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 43048660
N-(1-phenylethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934912
5-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 120847602

Frequently Asked Questions

What is the IUPAC name of (S)-phenyl-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of (S)-phenyl-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol (CID 36669511) is (S)-phenyl-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for (S)-phenyl-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for (S)-phenyl-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol is O[C@H](c1ccccc1)C1CCN(Cc2nc(-c3cccs3)no2)CC1.
What is the InChIKey of (S)-phenyl-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is RUYLNTGVGATJSG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21N3O2S/c23-18(14-5-2-1-3-6-14)15-8-10-22(11-9-15)13-17-20-19(21-24-17)16-7-4-12-25-16/h1-7,12,15,18,23H,8-11,13H2/t18-/m1/s1.
What are the key properties of (S)-phenyl-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol?
(S)-phenyl-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 355.46 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-phenyl-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 36669511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).