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

C13H15BrN2O3 — CID 66157009

IUPAC[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine
SMILESCOCc1cc(COc2ccc(Br)cc2CN)no1
InChIInChI=1S/C13H15BrN2O3/c1-17-8-12-5-11(16-19-12)7-18-13-3-2-10(14)4-9(13)6-15/h2-5H,6-8,15H2,1H3
InChIKeyYXIDJAGNMFAJHM-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.62
Rot. Bonds6

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

[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine (PubChem CID 66157009) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is [5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine
PubChem CID66157009
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine
SMILESCOCc1cc(COc2ccc(Br)cc2CN)no1
InChIInChI=1S/C13H15BrN2O3/c1-17-8-12-5-11(16-19-12)7-18-13-3-2-10(14)4-9(13)6-15/h2-5H,6-8,15H2,1H3
InChIKeyYXIDJAGNMFAJHM-UHFFFAOYSA-N
XLogP2.62
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
CID 66157614
3-[(5-bromo-2-fluorophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole
CID 114672579
(1S)-1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol
CID 79027106
1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]-N-methylethanamine
CID 66157615
2-[3-bromo-4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
CID 66190553
3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole
CID 66158008
[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79150560
2-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylphenyl]ethanamine
CID 115962620
[5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
CID 60878120
[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 115402782
2-[2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol
CID 107713142
[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine
CID 112608092

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine?
The IUPAC name of [5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine (CID 66157009) is [5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine?
The canonical SMILES for [5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine is COCc1cc(COc2ccc(Br)cc2CN)no1.
What is the InChIKey of [5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine?
The InChIKey is YXIDJAGNMFAJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c1-17-8-12-5-11(16-19-12)7-18-13-3-2-10(14)4-9(13)6-15/h2-5H,6-8,15H2,1H3.
What are the key properties of [5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine?
[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine has a molecular weight of 327.18 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine is sourced from PubChem (CID 66157009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).