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

C12H13FN2O2 — CID 62459221

IUPAC1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(COc2cccc(F)c2)on1
InChIInChI=1S/C12H13FN2O2/c1-14-7-10-6-12(17-15-10)8-16-11-4-2-3-9(13)5-11/h2-6,14H,7-8H2,1H3
InChIKeyQRKXPYQRXLQJMX-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.11
Rot. Bonds5

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

1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine (PubChem CID 62459221) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
PubChem CID62459221
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(COc2cccc(F)c2)on1
InChIInChI=1S/C12H13FN2O2/c1-14-7-10-6-12(17-15-10)8-16-11-4-2-3-9(13)5-11/h2-6,14H,7-8H2,1H3
InChIKeyQRKXPYQRXLQJMX-UHFFFAOYSA-N
XLogP2.11
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62459392
N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62459222
1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62450192
5-[(3-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
CID 60681199
1-[5-[(3,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62454455
N-methyl-1-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine
CID 62442813
1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]-N-methylmethanamine
CID 66157214
N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62443165
N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62453644
1-[5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62485184
N-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62450321
N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62440455

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine (CID 62459221) is 1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine is CNCc1cc(COc2cccc(F)c2)on1.
What is the InChIKey of 1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The InChIKey is QRKXPYQRXLQJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-14-7-10-6-12(17-15-10)8-16-11-4-2-3-9(13)5-11/h2-6,14H,7-8H2,1H3.
What are the key properties of 1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine has a molecular weight of 236.25 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62459221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).