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

C15H19FN2O — CID 56682845

IUPACN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine
SMILESCCCC(C)NCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN2O/c1-3-4-11(2)17-9-14-10-19-15(18-14)12-5-7-13(16)8-6-12/h5-8,10-11,17H,3-4,9H2,1-2H3
InChIKeyYZBAKUSCUWYQIF-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.76
Rot. Bonds6

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

N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine (PubChem CID 56682845) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine
PubChem CID56682845
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC NameN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine
SMILESCCCC(C)NCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN2O/c1-3-4-11(2)17-9-14-10-19-15(18-14)12-5-7-13(16)8-6-12/h5-8,10-11,17H,3-4,9H2,1-2H3
InChIKeyYZBAKUSCUWYQIF-UHFFFAOYSA-N
XLogP3.76
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine?
The IUPAC name of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine (CID 56682845) is N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine is CCCC(C)NCc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine?
The InChIKey is YZBAKUSCUWYQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-3-4-11(2)17-9-14-10-19-15(18-14)12-5-7-13(16)8-6-12/h5-8,10-11,17H,3-4,9H2,1-2H3.
What are the key properties of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine?
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine has a molecular weight of 262.33 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine is sourced from PubChem (CID 56682845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).