2-(azetidin-3-yl)-5-(4-methylphenyl)-1,3-oxazole

C13H14N2O — CID 115028752

IUPAC2-(azetidin-3-yl)-5-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2cnc(C3CNC3)o2)cc1
InChIInChI=1S/C13H14N2O/c1-9-2-4-10(5-3-9)12-8-15-13(16-12)11-6-14-7-11/h2-5,8,11,14H,6-7H2,1H3
InChIKeyQZWSAEYDEJGFHM-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.34
Rot. Bonds2

About 2-(azetidin-3-yl)-5-(4-methylphenyl)-1,3-oxazole

2-(azetidin-3-yl)-5-(4-methylphenyl)-1,3-oxazole (PubChem CID 115028752) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-(4-methylphenyl)-1,3-oxazole
PubChem CID115028752
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-(azetidin-3-yl)-5-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2cnc(C3CNC3)o2)cc1
InChIInChI=1S/C13H14N2O/c1-9-2-4-10(5-3-9)12-8-15-13(16-12)11-6-14-7-11/h2-5,8,11,14H,6-7H2,1H3
InChIKeyQZWSAEYDEJGFHM-UHFFFAOYSA-N
XLogP2.34
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 2-(azetidin-3-yl)-5-(4-methylphenyl)-1,3-oxazole (CID 115028752) is 2-(azetidin-3-yl)-5-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(azetidin-3-yl)-5-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 2-(azetidin-3-yl)-5-(4-methylphenyl)-1,3-oxazole is Cc1ccc(-c2cnc(C3CNC3)o2)cc1.
What is the InChIKey of 2-(azetidin-3-yl)-5-(4-methylphenyl)-1,3-oxazole?
The InChIKey is QZWSAEYDEJGFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-2-4-10(5-3-9)12-8-15-13(16-12)11-6-14-7-11/h2-5,8,11,14H,6-7H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-5-(4-methylphenyl)-1,3-oxazole?
2-(azetidin-3-yl)-5-(4-methylphenyl)-1,3-oxazole has a molecular weight of 214.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-5-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 115028752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).