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

C19H21N3O2S — CID 51931966

IUPAC(R)-phenyl-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
SMILESO[C@@H](c1ccccc1)C1CCN(Cc2nc(-c3ccsc3)no2)CC1
InChIInChI=1S/C19H21N3O2S/c23-18(14-4-2-1-3-5-14)15-6-9-22(10-7-15)12-17-20-19(21-24-17)16-8-11-25-13-16/h1-5,8,11,13,15,18,23H,6-7,9-10,12H2/t18-/m0/s1
InChIKeyXXSMHPRNYLTZGW-SFHVURJKSA-N
MW355.46 g/mol
LogP3.74
Rot. Bonds5

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

(R)-phenyl-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol (PubChem CID 51931966) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is (R)-phenyl-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name(R)-phenyl-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
PubChem CID51931966
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name(R)-phenyl-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
SMILESO[C@@H](c1ccccc1)C1CCN(Cc2nc(-c3ccsc3)no2)CC1
InChIInChI=1S/C19H21N3O2S/c23-18(14-4-2-1-3-5-14)15-6-9-22(10-7-15)12-17-20-19(21-24-17)16-8-11-25-13-16/h1-5,8,11,13,15,18,23H,6-7,9-10,12H2/t18-/m0/s1
InChIKeyXXSMHPRNYLTZGW-SFHVURJKSA-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
[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
1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630225
N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923233
2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47010444
(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933666
5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 33034311
ethyl (3S)-3-(4-fluorophenyl)-3-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanoate
CID 33367384
5-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 94897731
(S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 26407832
[1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol
CID 134043042

Frequently Asked Questions

What is the IUPAC name of (R)-phenyl-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of (R)-phenyl-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol (CID 51931966) is (R)-phenyl-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for (R)-phenyl-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for (R)-phenyl-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol is O[C@@H](c1ccccc1)C1CCN(Cc2nc(-c3ccsc3)no2)CC1.
What is the InChIKey of (R)-phenyl-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is XXSMHPRNYLTZGW-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21N3O2S/c23-18(14-4-2-1-3-5-14)15-6-9-22(10-7-15)12-17-20-19(21-24-17)16-8-11-25-13-16/h1-5,8,11,13,15,18,23H,6-7,9-10,12H2/t18-/m0/s1.
What are the key properties of (R)-phenyl-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol?
(R)-phenyl-[1-[(3-thiophen-3-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 (R)-phenyl-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 51931966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).