3-[[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-methylamino]propan-1-ol

C17H23ClN4O2 — CID 133315358

IUPAC3-[[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-methylamino]propan-1-ol
SMILESCN(CCCO)C1CCN(c2nc(-c3cccc(Cl)c3)no2)CC1
InChIInChI=1S/C17H23ClN4O2/c1-21(8-3-11-23)15-6-9-22(10-7-15)17-19-16(20-24-17)13-4-2-5-14(18)12-13/h2,4-5,12,15,23H,3,6-11H2,1H3
InChIKeySOECYRKHAGJDFI-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.67
Rot. Bonds6

About 3-[[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-methylamino]propan-1-ol

3-[[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-methylamino]propan-1-ol (PubChem CID 133315358) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 3-[[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-methylamino]propan-1-ol
PubChem CID133315358
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name3-[[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-methylamino]propan-1-ol
SMILESCN(CCCO)C1CCN(c2nc(-c3cccc(Cl)c3)no2)CC1
InChIInChI=1S/C17H23ClN4O2/c1-21(8-3-11-23)15-6-9-22(10-7-15)17-19-16(20-24-17)13-4-2-5-14(18)12-13/h2,4-5,12,15,23H,3,6-11H2,1H3
InChIKeySOECYRKHAGJDFI-UHFFFAOYSA-N
XLogP2.67
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 133282203
3-[methyl-[1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]amino]propan-1-ol
CID 111448317
2-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 128961180
5-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 133323032
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453900
3-(3-chlorophenyl)-5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,2,4-oxadiazole
CID 133282480
6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 127470154
3-(3-chlorophenyl)-5-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1,2,4-oxadiazole
CID 133281508
[(2S,4S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoropyrrolidin-2-yl]methanol
CID 128979619
N-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519523
2-[[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 133333645
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134031664

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-methylamino]propan-1-ol?
The IUPAC name of 3-[[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-methylamino]propan-1-ol (CID 133315358) is 3-[[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-methylamino]propan-1-ol.
What is the SMILES notation for 3-[[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-methylamino]propan-1-ol?
The canonical SMILES for 3-[[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-methylamino]propan-1-ol is CN(CCCO)C1CCN(c2nc(-c3cccc(Cl)c3)no2)CC1.
What is the InChIKey of 3-[[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-methylamino]propan-1-ol?
The InChIKey is SOECYRKHAGJDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O2/c1-21(8-3-11-23)15-6-9-22(10-7-15)17-19-16(20-24-17)13-4-2-5-14(18)12-13/h2,4-5,12,15,23H,3,6-11H2,1H3.
What are the key properties of 3-[[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-methylamino]propan-1-ol?
3-[[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-methylamino]propan-1-ol has a molecular weight of 350.85 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-methylamino]propan-1-ol is sourced from PubChem (CID 133315358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).