4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol

C14H17N3O2 — CID 136896348

IUPAC4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCC1CCCNC1c1nc(-c2ccc(O)cc2)no1
InChIInChI=1S/C14H17N3O2/c1-9-3-2-8-15-12(9)14-16-13(17-19-14)10-4-6-11(18)7-5-10/h4-7,9,12,15,18H,2-3,8H2,1H3
InChIKeyBOQDLUVEYAZTMB-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.50
Rot. Bonds2

About 4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol

4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 136896348) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID136896348
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCC1CCCNC1c1nc(-c2ccc(O)cc2)no1
InChIInChI=1S/C14H17N3O2/c1-9-3-2-8-15-12(9)14-16-13(17-19-14)10-4-6-11(18)7-5-10/h4-7,9,12,15,18H,2-3,8H2,1H3
InChIKeyBOQDLUVEYAZTMB-UHFFFAOYSA-N
XLogP2.50
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888941
5-(3-methylpiperidin-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 107071090
4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135973873
5-(3-methylpiperidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 107070924
6-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol
CID 137054165
2-methoxy-4-[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 136880687
4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 135983656
3-(furan-3-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780947
3-(3-bromo-4-methylphenyl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 107916391
3-(3-methylphenyl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780773
4-[[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 102780766
5-(3-methylpiperidin-2-yl)-3-(2-nitrophenyl)-1,2,4-oxadiazole
CID 107070898

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol (CID 136896348) is 4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol is CC1CCCNC1c1nc(-c2ccc(O)cc2)no1.
What is the InChIKey of 4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is BOQDLUVEYAZTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-3-2-8-15-12(9)14-16-13(17-19-14)10-4-6-11(18)7-5-10/h4-7,9,12,15,18H,2-3,8H2,1H3.
What are the key properties of 4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol?
4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 259.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 136896348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).