2-(azetidin-3-ylmethyl)-5-cycloheptyl-1,3-oxazole

C14H22N2O — CID 115040423

IUPAC2-(azetidin-3-ylmethyl)-5-cycloheptyl-1,3-oxazole
SMILESc1nc(CC2CNC2)oc1C1CCCCCC1
InChIInChI=1S/C14H22N2O/c1-2-4-6-12(5-3-1)13-10-16-14(17-13)7-11-8-15-9-11/h10-12,15H,1-9H2
InChIKeyJOBDLCNCZHHRLB-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.87
Rot. Bonds3

About 2-(azetidin-3-ylmethyl)-5-cycloheptyl-1,3-oxazole

2-(azetidin-3-ylmethyl)-5-cycloheptyl-1,3-oxazole (PubChem CID 115040423) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-5-cycloheptyl-1,3-oxazole.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-5-cycloheptyl-1,3-oxazole
PubChem CID115040423
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(azetidin-3-ylmethyl)-5-cycloheptyl-1,3-oxazole
SMILESc1nc(CC2CNC2)oc1C1CCCCCC1
InChIInChI=1S/C14H22N2O/c1-2-4-6-12(5-3-1)13-10-16-14(17-13)7-11-8-15-9-11/h10-12,15H,1-9H2
InChIKeyJOBDLCNCZHHRLB-UHFFFAOYSA-N
XLogP2.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-5-cycloheptyl-1,3-oxazole?
The IUPAC name of 2-(azetidin-3-ylmethyl)-5-cycloheptyl-1,3-oxazole (CID 115040423) is 2-(azetidin-3-ylmethyl)-5-cycloheptyl-1,3-oxazole.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-5-cycloheptyl-1,3-oxazole?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-5-cycloheptyl-1,3-oxazole is c1nc(CC2CNC2)oc1C1CCCCCC1.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-5-cycloheptyl-1,3-oxazole?
The InChIKey is JOBDLCNCZHHRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-4-6-12(5-3-1)13-10-16-14(17-13)7-11-8-15-9-11/h10-12,15H,1-9H2.
What are the key properties of 2-(azetidin-3-ylmethyl)-5-cycloheptyl-1,3-oxazole?
2-(azetidin-3-ylmethyl)-5-cycloheptyl-1,3-oxazole has a molecular weight of 234.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethyl)-5-cycloheptyl-1,3-oxazole is sourced from PubChem (CID 115040423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).