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

C14H16FN3O — CID 66188313

IUPACN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine
SMILESCN(Cc1coc(-c2ccc(F)cc2)n1)C1CNC1
InChIInChI=1S/C14H16FN3O/c1-18(13-6-16-7-13)8-12-9-19-14(17-12)10-2-4-11(15)5-3-10/h2-5,9,13,16H,6-8H2,1H3
InChIKeyGOCBMHXUEOMQQM-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.88
Rot. Bonds4

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

N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine (PubChem CID 66188313) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine
PubChem CID66188313
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine
SMILESCN(Cc1coc(-c2ccc(F)cc2)n1)C1CNC1
InChIInChI=1S/C14H16FN3O/c1-18(13-6-16-7-13)8-12-9-19-14(17-12)10-2-4-11(15)5-3-10/h2-5,9,13,16H,6-8H2,1H3
InChIKeyGOCBMHXUEOMQQM-UHFFFAOYSA-N
XLogP1.88
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine?
The IUPAC name of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine (CID 66188313) is N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine is CN(Cc1coc(-c2ccc(F)cc2)n1)C1CNC1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine?
The InChIKey is GOCBMHXUEOMQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-18(13-6-16-7-13)8-12-9-19-14(17-12)10-2-4-11(15)5-3-10/h2-5,9,13,16H,6-8H2,1H3.
What are the key properties of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine?
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine has a molecular weight of 261.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine is sourced from PubChem (CID 66188313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).