N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine

C13H15FN2O2 — CID 62453644

IUPACN-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COc2ccc(F)cc2)on1
InChIInChI=1S/C13H15FN2O2/c1-2-15-8-11-7-13(18-16-11)9-17-12-5-3-10(14)4-6-12/h3-7,15H,2,8-9H2,1H3
InChIKeyBZFCGPRGGVJUQU-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.50
Rot. Bonds6

About N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine

N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 62453644) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID62453644
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC NameN-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COc2ccc(F)cc2)on1
InChIInChI=1S/C13H15FN2O2/c1-2-15-8-11-7-13(18-16-11)9-17-12-5-3-10(14)4-6-12/h3-7,15H,2,8-9H2,1H3
InChIKeyBZFCGPRGGVJUQU-UHFFFAOYSA-N
XLogP2.50
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(3,5-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62783622
N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62443165
N-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62486332
N-[[5-[(4-propylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62548925
N-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62450321
N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62459222
N-[[5-[[3-(methoxymethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 63985026
N-[[5-[(2,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62452940
1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62459221
N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62452245
N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62455470
N-[[5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 103175612

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine (CID 62453644) is N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1cc(COc2ccc(F)cc2)on1.
What is the InChIKey of N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is BZFCGPRGGVJUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-2-15-8-11-7-13(18-16-11)9-17-12-5-3-10(14)4-6-12/h3-7,15H,2,8-9H2,1H3.
What are the key properties of N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 250.27 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 62453644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).