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

C11H16N2O2 — CID 115025820

IUPAC2-(azetidin-3-yl)-5-(oxan-4-yl)-1,3-oxazole
SMILESc1nc(C2CNC2)oc1C1CCOCC1
InChIInChI=1S/C11H16N2O2/c1-3-14-4-2-8(1)10-7-13-11(15-10)9-5-12-6-9/h7-9,12H,1-6H2
InChIKeyHGNOPHNFOQIOQG-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.26
Rot. Bonds2

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

2-(azetidin-3-yl)-5-(oxan-4-yl)-1,3-oxazole (PubChem CID 115025820) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-(oxan-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-(oxan-4-yl)-1,3-oxazole
PubChem CID115025820
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(azetidin-3-yl)-5-(oxan-4-yl)-1,3-oxazole
SMILESc1nc(C2CNC2)oc1C1CCOCC1
InChIInChI=1S/C11H16N2O2/c1-3-14-4-2-8(1)10-7-13-11(15-10)9-5-12-6-9/h7-9,12H,1-6H2
InChIKeyHGNOPHNFOQIOQG-UHFFFAOYSA-N
XLogP1.26
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-5-cyclohexyl-1,3-oxazole
CID 115024824
2-(azetidin-3-yl)-5-piperidin-4-yl-1,3-oxazole
CID 115025282
5-(azetidin-3-yl)-2-cyclopentyl-1,3-oxazole
CID 105446346
5-cyclohexyl-2-pyrrolidin-3-yl-1,3-oxazole
CID 84685995
[5-(oxan-4-yl)-1,3-oxazol-2-yl]methanol
CID 115016406
2-(1-chloroethyl)-5-(oxan-4-yl)-1,3-oxazole
CID 65180223
2-(azetidin-3-yl)-5-(4-methylphenyl)-1,3-oxazole
CID 115028752
2-(azetidin-3-ylmethyl)-5-cycloheptyl-1,3-oxazole
CID 115040423
5-(1-methylcyclopropyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 115019177
4-(oxan-4-yl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 115033401
2-(azetidin-3-yl)-4-methyl-6-(oxan-4-yl)pyrimidine
CID 116893325
2-(azetidin-3-yl)-5-(2-methoxyphenyl)-1,3-oxazole
CID 115037712

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-(oxan-4-yl)-1,3-oxazole?
The IUPAC name of 2-(azetidin-3-yl)-5-(oxan-4-yl)-1,3-oxazole (CID 115025820) is 2-(azetidin-3-yl)-5-(oxan-4-yl)-1,3-oxazole.
What is the SMILES notation for 2-(azetidin-3-yl)-5-(oxan-4-yl)-1,3-oxazole?
The canonical SMILES for 2-(azetidin-3-yl)-5-(oxan-4-yl)-1,3-oxazole is c1nc(C2CNC2)oc1C1CCOCC1.
What is the InChIKey of 2-(azetidin-3-yl)-5-(oxan-4-yl)-1,3-oxazole?
The InChIKey is HGNOPHNFOQIOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-14-4-2-8(1)10-7-13-11(15-10)9-5-12-6-9/h7-9,12H,1-6H2.
What are the key properties of 2-(azetidin-3-yl)-5-(oxan-4-yl)-1,3-oxazole?
2-(azetidin-3-yl)-5-(oxan-4-yl)-1,3-oxazole has a molecular weight of 208.26 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-5-(oxan-4-yl)-1,3-oxazole is sourced from PubChem (CID 115025820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).