[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine

C13H15FN2O3 — CID 112608092

IUPAC[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine
SMILESCOCc1cc(COc2c(F)cccc2CN)no1
InChIInChI=1S/C13H15FN2O3/c1-17-8-11-5-10(16-19-11)7-18-13-9(6-15)3-2-4-12(13)14/h2-5H,6-8,15H2,1H3
InChIKeyIDWOOOMFZKQMAS-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.00
Rot. Bonds6

About [3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine

[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine (PubChem CID 112608092) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is [3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine
PubChem CID112608092
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine
SMILESCOCc1cc(COc2c(F)cccc2CN)no1
InChIInChI=1S/C13H15FN2O3/c1-17-8-11-5-10(16-19-11)7-18-13-9(6-15)3-2-4-12(13)14/h2-5H,6-8,15H2,1H3
InChIKeyIDWOOOMFZKQMAS-UHFFFAOYSA-N
XLogP2.00
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine with MolForge

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Related Compounds

N-[[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]ethanamine
CID 115953321
2-[3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanamine
CID 112615166
1-[3-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]-N-methylmethanamine
CID 66157422
[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine
CID 66157009
2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylphenyl]ethanamine
CID 66188973
2-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylphenyl]ethanamine
CID 115962620
3-[(5-bromo-2-fluorophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole
CID 114672579
[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 112607574
2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylbenzaldehyde
CID 112611123
2-[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]ethanamine
CID 79800694
2-[2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol
CID 107713142
O-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]hydroxylamine
CID 79427575

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine?
The IUPAC name of [3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine (CID 112608092) is [3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine?
The canonical SMILES for [3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine is COCc1cc(COc2c(F)cccc2CN)no1.
What is the InChIKey of [3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine?
The InChIKey is IDWOOOMFZKQMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-17-8-11-5-10(16-19-11)7-18-13-9(6-15)3-2-4-12(13)14/h2-5H,6-8,15H2,1H3.
What are the key properties of [3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine?
[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine has a molecular weight of 266.27 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine is sourced from PubChem (CID 112608092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).