[5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine

C13H15BrN2O2 — CID 60878120

IUPAC[5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
SMILESCc1noc(C)c1COc1ccc(Br)cc1CN
InChIInChI=1S/C13H15BrN2O2/c1-8-12(9(2)18-16-8)7-17-13-4-3-11(14)5-10(13)6-15/h3-5H,6-7,15H2,1-2H3
InChIKeyCXFDULJHJGLJQC-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.09
Rot. Bonds4

About [5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine

[5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine (PubChem CID 60878120) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is [5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
PubChem CID60878120
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name[5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
SMILESCc1noc(C)c1COc1ccc(Br)cc1CN
InChIInChI=1S/C13H15BrN2O2/c1-8-12(9(2)18-16-8)7-17-13-4-3-11(14)5-10(13)6-15/h3-5H,6-7,15H2,1-2H3
InChIKeyCXFDULJHJGLJQC-UHFFFAOYSA-N
XLogP3.09
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol
CID 28825757
(1R)-1-[4-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanamine
CID 102946793
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]methanamine
CID 60879250
[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine
CID 66157009
1-[4-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 102947520
3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzaldehyde
CID 55025741
4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
CID 71103207
[5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60877933
2-(aminomethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]pyran-4-one
CID 82064047
[3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
CID 112607696
1-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]butan-2-amine
CID 63052191
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 60881964

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine?
The IUPAC name of [5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine (CID 60878120) is [5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine is Cc1noc(C)c1COc1ccc(Br)cc1CN.
What is the InChIKey of [5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine?
The InChIKey is CXFDULJHJGLJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-8-12(9(2)18-16-8)7-17-13-4-3-11(14)5-10(13)6-15/h3-5H,6-7,15H2,1-2H3.
What are the key properties of [5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine?
[5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine has a molecular weight of 311.18 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 60878120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).