2-(azetidin-3-yl)-5-cyclohexyl-1,3-oxazole

C12H18N2O — CID 115024824

IUPAC2-(azetidin-3-yl)-5-cyclohexyl-1,3-oxazole
SMILESc1nc(C2CNC2)oc1C1CCCCC1
InChIInChI=1S/C12H18N2O/c1-2-4-9(5-3-1)11-8-14-12(15-11)10-6-13-7-10/h8-10,13H,1-7H2
InChIKeyVTBGWGIJTWMFJG-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.41
Rot. Bonds2

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

2-(azetidin-3-yl)-5-cyclohexyl-1,3-oxazole (PubChem CID 115024824) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-cyclohexyl-1,3-oxazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-cyclohexyl-1,3-oxazole
PubChem CID115024824
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(azetidin-3-yl)-5-cyclohexyl-1,3-oxazole
SMILESc1nc(C2CNC2)oc1C1CCCCC1
InChIInChI=1S/C12H18N2O/c1-2-4-9(5-3-1)11-8-14-12(15-11)10-6-13-7-10/h8-10,13H,1-7H2
InChIKeyVTBGWGIJTWMFJG-UHFFFAOYSA-N
XLogP2.41
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(azetidin-3-yl)-5-cyclohexyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-cyclohexyl-1,3-oxazole?
The IUPAC name of 2-(azetidin-3-yl)-5-cyclohexyl-1,3-oxazole (CID 115024824) is 2-(azetidin-3-yl)-5-cyclohexyl-1,3-oxazole.
What is the SMILES notation for 2-(azetidin-3-yl)-5-cyclohexyl-1,3-oxazole?
The canonical SMILES for 2-(azetidin-3-yl)-5-cyclohexyl-1,3-oxazole is c1nc(C2CNC2)oc1C1CCCCC1.
What is the InChIKey of 2-(azetidin-3-yl)-5-cyclohexyl-1,3-oxazole?
The InChIKey is VTBGWGIJTWMFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-4-9(5-3-1)11-8-14-12(15-11)10-6-13-7-10/h8-10,13H,1-7H2.
What are the key properties of 2-(azetidin-3-yl)-5-cyclohexyl-1,3-oxazole?
2-(azetidin-3-yl)-5-cyclohexyl-1,3-oxazole has a molecular weight of 206.29 g/mol, XLogP of 2.41, 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-cyclohexyl-1,3-oxazole is sourced from PubChem (CID 115024824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).