1-[3-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylmethanamine

C13H15BrN2O2 — CID 61390263

IUPAC1-[3-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Br)c1OCc1cc(C)no1
InChIInChI=1S/C13H15BrN2O2/c1-9-6-11(18-16-9)8-17-13-10(7-15-2)4-3-5-12(13)14/h3-6,15H,7-8H2,1-2H3
InChIKeyZMRYPGYCSQKQGQ-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.04
Rot. Bonds5

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

1-[3-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 61390263) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-[3-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID61390263
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name1-[3-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Br)c1OCc1cc(C)no1
InChIInChI=1S/C13H15BrN2O2/c1-9-6-11(18-16-9)8-17-13-10(7-15-2)4-3-5-12(13)14/h3-6,15H,7-8H2,1-2H3
InChIKeyZMRYPGYCSQKQGQ-UHFFFAOYSA-N
XLogP3.04
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]-N-methylmethanamine
CID 66157422
N-[[3-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112608993
1-[3-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 61390155
N-[[3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 115955154
5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 78913723
1-[3-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine
CID 61497257
1-[3-bromo-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 61390194
[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 112607574
1-[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 79703239
4-[[2-bromo-6-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887268
1-(3-bromo-2-prop-2-enoxyphenyl)-N-methylmethanamine
CID 61390299
1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine
CID 61389671

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylmethanamine (CID 61390263) is 1-[3-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylmethanamine is CNCc1cccc(Br)c1OCc1cc(C)no1.
What is the InChIKey of 1-[3-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is ZMRYPGYCSQKQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-9-6-11(18-16-9)8-17-13-10(7-15-2)4-3-5-12(13)14/h3-6,15H,7-8H2,1-2H3.
What are the key properties of 1-[3-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylmethanamine?
1-[3-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 311.18 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 61390263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).