5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole

C11H19N3O2 — CID 104911775

IUPAC5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole
SMILESCCCOCc1noc([C@H]2CCCNC2)n1
InChIInChI=1S/C11H19N3O2/c1-2-6-15-8-10-13-11(16-14-10)9-4-3-5-12-7-9/h9,12H,2-8H2,1H3/t9-/m0/s1
InChIKeyVXKFQRYHNVNNHN-VIFPVBQESA-N
MW225.29 g/mol
LogP1.46
Rot. Bonds5

About 5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole

5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole (PubChem CID 104911775) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole
PubChem CID104911775
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole
SMILESCCCOCc1noc([C@H]2CCCNC2)n1
InChIInChI=1S/C11H19N3O2/c1-2-6-15-8-10-13-11(16-14-10)9-4-3-5-12-7-9/h9,12H,2-8H2,1H3/t9-/m0/s1
InChIKeyVXKFQRYHNVNNHN-VIFPVBQESA-N
XLogP1.46
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 106814721
3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
5-[(3R)-piperidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472776
N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 115077717
3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96690532
N,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 28526049
3-(phenoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62717200
5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 104911956
N-methyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 55202433
N-ethyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63350837
3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911754
3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911863

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole (CID 104911775) is 5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole is CCCOCc1noc([C@H]2CCCNC2)n1.
What is the InChIKey of 5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole?
The InChIKey is VXKFQRYHNVNNHN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-6-15-8-10-13-11(16-14-10)9-4-3-5-12-7-9/h9,12H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of 5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole?
5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole has a molecular weight of 225.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 104911775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).