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

C13H15BrN2O2 — CID 55189227

IUPAC(1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
SMILESCc1cc(COc2ccc(Br)cc2[C@@H](C)N)on1
InChIInChI=1S/C13H15BrN2O2/c1-8-5-11(18-16-8)7-17-13-4-3-10(14)6-12(13)9(2)15/h3-6,9H,7,15H2,1-2H3/t9-/m1/s1
InChIKeyLAZGNDZRKYPHAY-SECBINFHSA-N
MW311.18 g/mol
LogP3.34
Rot. Bonds4

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

(1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine (PubChem CID 55189227) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is (1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
PubChem CID55189227
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name(1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
SMILESCc1cc(COc2ccc(Br)cc2[C@@H](C)N)on1
InChIInChI=1S/C13H15BrN2O2/c1-8-5-11(18-16-8)7-17-13-4-3-10(14)6-12(13)9(2)15/h3-6,9H,7,15H2,1-2H3/t9-/m1/s1
InChIKeyLAZGNDZRKYPHAY-SECBINFHSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 115401922
(1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
CID 63365820
(1S)-1-[5-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 63367192
1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
CID 66157614
1-[5-bromo-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 62370024
[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 115402782
5-[(5-bromo-2-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
CID 115918504
N-[1-[4-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 102947838
(1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 79268203
1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 63499604
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030
1-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
CID 43503944

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine (CID 55189227) is (1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine is Cc1cc(COc2ccc(Br)cc2[C@@H](C)N)on1.
What is the InChIKey of (1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine?
The InChIKey is LAZGNDZRKYPHAY-SECBINFHSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-8-5-11(18-16-8)7-17-13-4-3-10(14)6-12(13)9(2)15/h3-6,9H,7,15H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine?
(1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine has a molecular weight of 311.18 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 55189227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).