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

C13H15N3O2 — CID 64611456

IUPAC4-[[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
SMILESOc1ccc(Cc2noc(CC3CNC3)n2)cc1
InChIInChI=1S/C13H15N3O2/c17-11-3-1-9(2-4-11)5-12-15-13(18-16-12)6-10-7-14-8-10/h1-4,10,14,17H,5-8H2
InChIKeyHRICFNMQPIDZBS-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.13
Rot. Bonds4

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

4-[[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]phenol (PubChem CID 64611456) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-[[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
PubChem CID64611456
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-[[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
SMILESOc1ccc(Cc2noc(CC3CNC3)n2)cc1
InChIInChI=1S/C13H15N3O2/c17-11-3-1-9(2-4-11)5-12-15-13(18-16-12)6-10-7-14-8-10/h1-4,10,14,17H,5-8H2
InChIKeyHRICFNMQPIDZBS-UHFFFAOYSA-N
XLogP1.13
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]phenol?
The IUPAC name of 4-[[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]phenol (CID 64611456) is 4-[[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]phenol.
What is the SMILES notation for 4-[[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]phenol?
The canonical SMILES for 4-[[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]phenol is Oc1ccc(Cc2noc(CC3CNC3)n2)cc1.
What is the InChIKey of 4-[[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]phenol?
The InChIKey is HRICFNMQPIDZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-11-3-1-9(2-4-11)5-12-15-13(18-16-12)6-10-7-14-8-10/h1-4,10,14,17H,5-8H2.
What are the key properties of 4-[[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]phenol?
4-[[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]phenol has a molecular weight of 245.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]phenol is sourced from PubChem (CID 64611456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).