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

C13H14N2O2 — CID 115037705

IUPAC4-[2-(azetidin-3-ylmethyl)-1,3-oxazol-5-yl]phenol
SMILESOc1ccc(-c2cnc(CC3CNC3)o2)cc1
InChIInChI=1S/C13H14N2O2/c16-11-3-1-10(2-4-11)12-8-15-13(17-12)5-9-6-14-7-9/h1-4,8-9,14,16H,5-7H2
InChIKeyHGUUHODTTAJRDD-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.81
Rot. Bonds3

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

4-[2-(azetidin-3-ylmethyl)-1,3-oxazol-5-yl]phenol (PubChem CID 115037705) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-[2-(azetidin-3-ylmethyl)-1,3-oxazol-5-yl]phenol.

Molecular Properties

Compound Name4-[2-(azetidin-3-ylmethyl)-1,3-oxazol-5-yl]phenol
PubChem CID115037705
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-[2-(azetidin-3-ylmethyl)-1,3-oxazol-5-yl]phenol
SMILESOc1ccc(-c2cnc(CC3CNC3)o2)cc1
InChIInChI=1S/C13H14N2O2/c16-11-3-1-10(2-4-11)12-8-15-13(17-12)5-9-6-14-7-9/h1-4,8-9,14,16H,5-7H2
InChIKeyHGUUHODTTAJRDD-UHFFFAOYSA-N
XLogP1.81
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(azetidin-3-ylmethyl)-1,3-oxazol-5-yl]phenol?
The IUPAC name of 4-[2-(azetidin-3-ylmethyl)-1,3-oxazol-5-yl]phenol (CID 115037705) is 4-[2-(azetidin-3-ylmethyl)-1,3-oxazol-5-yl]phenol.
What is the SMILES notation for 4-[2-(azetidin-3-ylmethyl)-1,3-oxazol-5-yl]phenol?
The canonical SMILES for 4-[2-(azetidin-3-ylmethyl)-1,3-oxazol-5-yl]phenol is Oc1ccc(-c2cnc(CC3CNC3)o2)cc1.
What is the InChIKey of 4-[2-(azetidin-3-ylmethyl)-1,3-oxazol-5-yl]phenol?
The InChIKey is HGUUHODTTAJRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-11-3-1-10(2-4-11)12-8-15-13(17-12)5-9-6-14-7-9/h1-4,8-9,14,16H,5-7H2.
What are the key properties of 4-[2-(azetidin-3-ylmethyl)-1,3-oxazol-5-yl]phenol?
4-[2-(azetidin-3-ylmethyl)-1,3-oxazol-5-yl]phenol has a molecular weight of 230.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-3-ylmethyl)-1,3-oxazol-5-yl]phenol is sourced from PubChem (CID 115037705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).