1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-amine

C13H14FN3O — CID 65249857

IUPAC1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-amine
SMILESNC1CN(Cc2coc(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C13H14FN3O/c14-10-3-1-2-9(4-10)13-16-12(8-18-13)7-17-5-11(15)6-17/h1-4,8,11H,5-7,15H2
InChIKeyCEMHDWCOBDEOQY-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.62
Rot. Bonds3

About 1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-amine

1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-amine (PubChem CID 65249857) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-amine
PubChem CID65249857
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-amine
SMILESNC1CN(Cc2coc(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C13H14FN3O/c14-10-3-1-2-9(4-10)13-16-12(8-18-13)7-17-5-11(15)6-17/h1-4,8,11H,5-7,15H2
InChIKeyCEMHDWCOBDEOQY-UHFFFAOYSA-N
XLogP1.62
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-amine?
The IUPAC name of 1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-amine (CID 65249857) is 1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-amine.
What is the SMILES notation for 1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-amine?
The canonical SMILES for 1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-amine is NC1CN(Cc2coc(-c3cccc(F)c3)n2)C1.
What is the InChIKey of 1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-amine?
The InChIKey is CEMHDWCOBDEOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-10-3-1-2-9(4-10)13-16-12(8-18-13)7-17-5-11(15)6-17/h1-4,8,11H,5-7,15H2.
What are the key properties of 1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-amine?
1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-amine has a molecular weight of 247.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-amine is sourced from PubChem (CID 65249857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).