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

C16H19N3O3 — CID 56807257

IUPAC[phenyl-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methyl] acetate
SMILESCC(=O)OC(c1ccccc1)c1nc(C2CCNCC2)no1
InChIInChI=1S/C16H19N3O3/c1-11(20)21-14(12-5-3-2-4-6-12)16-18-15(19-22-16)13-7-9-17-10-8-13/h2-6,13-14,17H,7-10H2,1H3
InChIKeyDTIFIXAOCRLHHS-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.19
Rot. Bonds4

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

[phenyl-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methyl] acetate (PubChem CID 56807257) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is [phenyl-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methyl] acetate.

Molecular Properties

Compound Name[phenyl-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methyl] acetate
PubChem CID56807257
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name[phenyl-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methyl] acetate
SMILESCC(=O)OC(c1ccccc1)c1nc(C2CCNCC2)no1
InChIInChI=1S/C16H19N3O3/c1-11(20)21-14(12-5-3-2-4-6-12)16-18-15(19-22-16)13-7-9-17-10-8-13/h2-6,13-14,17H,7-10H2,1H3
InChIKeyDTIFIXAOCRLHHS-UHFFFAOYSA-N
XLogP2.19
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111540799
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119817373
5-(difluoromethyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 86812269
5-butan-2-yl-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63014682
5-(4-phenylphenyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 59657751
benzhydryl acetate;hydrazine
CID 122610283
(R)-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898627
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride
CID 119948094
5-[ethoxy(phenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958661
5-[chloro(phenyl)methyl]-3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazole
CID 65389372
2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one
CID 104847279
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl 1-benzylpyrrolidine-2-carboxylate
CID 75370802

Frequently Asked Questions

What is the IUPAC name of [phenyl-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methyl] acetate?
The IUPAC name of [phenyl-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methyl] acetate (CID 56807257) is [phenyl-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methyl] acetate.
What is the SMILES notation for [phenyl-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methyl] acetate?
The canonical SMILES for [phenyl-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methyl] acetate is CC(=O)OC(c1ccccc1)c1nc(C2CCNCC2)no1.
What is the InChIKey of [phenyl-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methyl] acetate?
The InChIKey is DTIFIXAOCRLHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11(20)21-14(12-5-3-2-4-6-12)16-18-15(19-22-16)13-7-9-17-10-8-13/h2-6,13-14,17H,7-10H2,1H3.
What are the key properties of [phenyl-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methyl] acetate?
[phenyl-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methyl] acetate has a molecular weight of 301.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)methyl] acetate is sourced from PubChem (CID 56807257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).