N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine

C14H17FN2O2 — CID 62459222

IUPACN-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COc2cccc(F)c2)on1
InChIInChI=1S/C14H17FN2O2/c1-2-6-16-9-12-8-14(19-17-12)10-18-13-5-3-4-11(15)7-13/h3-5,7-8,16H,2,6,9-10H2,1H3
InChIKeyVRXMVMXTBOADIN-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.89
Rot. Bonds7

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

N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine (PubChem CID 62459222) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
PubChem CID62459222
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COc2cccc(F)c2)on1
InChIInChI=1S/C14H17FN2O2/c1-2-6-16-9-12-8-14(19-17-12)10-18-13-5-3-4-11(15)7-13/h3-5,7-8,16H,2,6,9-10H2,1H3
InChIKeyVRXMVMXTBOADIN-UHFFFAOYSA-N
XLogP2.89
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62459221
N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62459392
N-[[5-[(4-propylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62548925
N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62443165
N-[[5-[[3-(methoxymethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 63985026
N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62453644
N-[[5-[(3,5-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62783622
N-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62450321
3-fluoro-N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline
CID 62461087
N-[[5-[(2,3,6-trimethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62484979
5-[(3-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
CID 60681199
N-[[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-1-amine
CID 66157018

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine (CID 62459222) is N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine is CCCNCc1cc(COc2cccc(F)c2)on1.
What is the InChIKey of N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
The InChIKey is VRXMVMXTBOADIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-2-6-16-9-12-8-14(19-17-12)10-18-13-5-3-4-11(15)7-13/h3-5,7-8,16H,2,6,9-10H2,1H3.
What are the key properties of N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine has a molecular weight of 264.30 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62459222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).