5-[(1R)-1-(4-methoxypiperidin-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole

C16H21N3O2 — CID 94513017

IUPAC5-[(1R)-1-(4-methoxypiperidin-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCOC1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C16H21N3O2/c1-12(19-10-8-14(20-2)9-11-19)16-17-15(18-21-16)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t12-/m1/s1
InChIKeyRDDGZMFTFSFXPC-GFCCVEGCSA-N
MW287.36 g/mol
LogP2.91
Rot. Bonds4

About 5-[(1R)-1-(4-methoxypiperidin-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole

5-[(1R)-1-(4-methoxypiperidin-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 94513017) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-[(1R)-1-(4-methoxypiperidin-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-(4-methoxypiperidin-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID94513017
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-[(1R)-1-(4-methoxypiperidin-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCOC1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C16H21N3O2/c1-12(19-10-8-14(20-2)9-11-19)16-17-15(18-21-16)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t12-/m1/s1
InChIKeyRDDGZMFTFSFXPC-GFCCVEGCSA-N
XLogP2.91
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(1R)-1-(4-methoxypiperidin-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907313
(4-methylphenyl)-[1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone
CID 87034801
N-cyclopropyl-1-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
CID 94651886
3-phenyl-5-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 40897910
5-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole
CID 75831255
2,6-dimethyl-4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 47012753
2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetic acid
CID 119924431
3-phenyl-5-[1-(3-pyrazol-1-ylazetidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 56781222
3-phenyl-5-[1-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 55703237
1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol
CID 111489338
5-[(1S)-1-[4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole
CID 99796008
3-amino-2-methyl-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one
CID 120503166

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(4-methoxypiperidin-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-(4-methoxypiperidin-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole (CID 94513017) is 5-[(1R)-1-(4-methoxypiperidin-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-(4-methoxypiperidin-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-(4-methoxypiperidin-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole is COC1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of 5-[(1R)-1-(4-methoxypiperidin-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is RDDGZMFTFSFXPC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(19-10-8-14(20-2)9-11-19)16-17-15(18-21-16)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t12-/m1/s1.
What are the key properties of 5-[(1R)-1-(4-methoxypiperidin-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole?
5-[(1R)-1-(4-methoxypiperidin-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 287.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(4-methoxypiperidin-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 94513017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).