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

C12H13N3O2 — CID 113310677

IUPAC3-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1cccc(-c2noc(CC3CNC3)n2)c1
InChIInChI=1S/C12H13N3O2/c16-10-3-1-2-9(5-10)12-14-11(17-15-12)4-8-6-13-7-8/h1-3,5,8,13,16H,4,6-7H2
InChIKeyJNZBDRPTXWJTCT-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.20
Rot. Bonds3

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

3-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 113310677) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID113310677
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1cccc(-c2noc(CC3CNC3)n2)c1
InChIInChI=1S/C12H13N3O2/c16-10-3-1-2-9(5-10)12-14-11(17-15-12)4-8-6-13-7-8/h1-3,5,8,13,16H,4,6-7H2
InChIKeyJNZBDRPTXWJTCT-UHFFFAOYSA-N
XLogP1.20
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921243
5-(azetidin-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 64612280
3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921225
5-(azetidin-3-ylmethyl)-3-(3,4-difluorophenyl)-1,2,4-oxadiazole
CID 64610434
2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 107922223
5-(azetidin-3-ylmethyl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 106847359
3-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 110170900
4-[[3-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 120840369
3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 71261689
3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921255
3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 103822428
3-[5-(anilinomethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 103832480

Frequently Asked Questions

What is the IUPAC name of 3-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol (CID 113310677) is 3-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol is Oc1cccc(-c2noc(CC3CNC3)n2)c1.
What is the InChIKey of 3-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is JNZBDRPTXWJTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-10-3-1-2-9(5-10)12-14-11(17-15-12)4-8-6-13-7-8/h1-3,5,8,13,16H,4,6-7H2.
What are the key properties of 3-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol?
3-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 231.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 113310677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).