4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol

C13H15N3O2 — CID 137002863

IUPAC4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESOc1ccc(-c2nc(C3CCCNC3)no2)cc1
InChIInChI=1S/C13H15N3O2/c17-11-5-3-9(4-6-11)13-15-12(16-18-13)10-2-1-7-14-8-10/h3-6,10,14,17H,1-2,7-8H2
InChIKeyJGWANYDPBCRUBK-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.91
Rot. Bonds2

About 4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol

4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 137002863) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID137002863
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESOc1ccc(-c2nc(C3CCCNC3)no2)cc1
InChIInChI=1S/C13H15N3O2/c17-11-5-3-9(4-6-11)13-15-12(16-18-13)10-2-1-7-14-8-10/h3-6,10,14,17H,1-2,7-8H2
InChIKeyJGWANYDPBCRUBK-UHFFFAOYSA-N
XLogP1.91
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylphenyl)-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939484
5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 86326580
5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 79205715
5-(4-fluorophenyl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 84696560
5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727838
5-(2,6-difluorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024920
1-[4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-2-one
CID 167832242
5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024578
5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026121
6-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
CID 114040481
5-(3-methyl-4-nitrophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 104637697
3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 68962118

Frequently Asked Questions

What is the IUPAC name of 4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol (CID 137002863) is 4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol is Oc1ccc(-c2nc(C3CCCNC3)no2)cc1.
What is the InChIKey of 4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is JGWANYDPBCRUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-11-5-3-9(4-6-11)13-15-12(16-18-13)10-2-1-7-14-8-10/h3-6,10,14,17H,1-2,7-8H2.
What are the key properties of 4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol?
4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol has a molecular weight of 245.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 137002863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).