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

C13H15N3O — CID 86326580

IUPAC5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESc1ccc(-c2nc([C@@H]3CCCNC3)no2)cc1
InChIInChI=1S/C13H15N3O/c1-2-5-10(6-3-1)13-15-12(16-17-13)11-7-4-8-14-9-11/h1-3,5-6,11,14H,4,7-9H2/t11-/m1/s1
InChIKeyRFNUNTOBFIYXAW-LLVKDONJSA-N
MW229.28 g/mol
LogP2.20
Rot. Bonds2

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

5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 86326580) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID86326580
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESc1ccc(-c2nc([C@@H]3CCCNC3)no2)cc1
InChIInChI=1S/C13H15N3O/c1-2-5-10(6-3-1)13-15-12(16-17-13)11-7-4-8-14-9-11/h1-3,5-6,11,14H,4,7-9H2/t11-/m1/s1
InChIKeyRFNUNTOBFIYXAW-LLVKDONJSA-N
XLogP2.20
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727838
5-(4-methylphenyl)-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939484
4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137002863
5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 79205715
5-(2,6-difluorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024920
5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026121
3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 68962118
5-(4-phenylphenyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 59657751
5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024578
6-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
CID 114040481
5-(4-fluorophenyl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 84696560
5-(3-chlorophenyl)-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 129462471

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole (CID 86326580) is 5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole is c1ccc(-c2nc([C@@H]3CCCNC3)no2)cc1.
What is the InChIKey of 5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is RFNUNTOBFIYXAW-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-5-10(6-3-1)13-15-12(16-17-13)11-7-4-8-14-9-11/h1-3,5-6,11,14H,4,7-9H2/t11-/m1/s1.
What are the key properties of 5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 229.28 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 86326580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).