2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-5-propan-2-yl-1,3-oxazole

C13H21FN2O — CID 169167365

IUPAC2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-5-propan-2-yl-1,3-oxazole
SMILESCc1nc(CCCN2CC(F)C2)oc1C(C)C
InChIInChI=1S/C13H21FN2O/c1-9(2)13-10(3)15-12(17-13)5-4-6-16-7-11(14)8-16/h9,11H,4-8H2,1-3H3
InChIKeyAAWOBGBTLSKUIN-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.69
Rot. Bonds5

About 2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-5-propan-2-yl-1,3-oxazole

2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-5-propan-2-yl-1,3-oxazole (PubChem CID 169167365) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-5-propan-2-yl-1,3-oxazole
PubChem CID169167365
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-5-propan-2-yl-1,3-oxazole
SMILESCc1nc(CCCN2CC(F)C2)oc1C(C)C
InChIInChI=1S/C13H21FN2O/c1-9(2)13-10(3)15-12(17-13)5-4-6-16-7-11(14)8-16/h9,11H,4-8H2,1-3H3
InChIKeyAAWOBGBTLSKUIN-UHFFFAOYSA-N
XLogP2.69
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-5-propan-2-yl-1,3-oxazole (CID 169167365) is 2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-5-propan-2-yl-1,3-oxazole is Cc1nc(CCCN2CC(F)C2)oc1C(C)C.
What is the InChIKey of 2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-5-propan-2-yl-1,3-oxazole?
The InChIKey is AAWOBGBTLSKUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-9(2)13-10(3)15-12(17-13)5-4-6-16-7-11(14)8-16/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-5-propan-2-yl-1,3-oxazole?
2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-5-propan-2-yl-1,3-oxazole has a molecular weight of 240.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 169167365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).