[3-bromo-4-(1,2-oxazol-5-ylmethoxy)phenyl]methanamine

C11H11BrN2O2 — CID 63047028

IUPAC[3-bromo-4-(1,2-oxazol-5-ylmethoxy)phenyl]methanamine
SMILESNCc1ccc(OCc2ccno2)c(Br)c1
InChIInChI=1S/C11H11BrN2O2/c12-10-5-8(6-13)1-2-11(10)15-7-9-3-4-14-16-9/h1-5H,6-7,13H2
InChIKeyWUBUSLQEKIEFIS-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.47
Rot. Bonds4

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

[3-bromo-4-(1,2-oxazol-5-ylmethoxy)phenyl]methanamine (PubChem CID 63047028) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is [3-bromo-4-(1,2-oxazol-5-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-(1,2-oxazol-5-ylmethoxy)phenyl]methanamine
PubChem CID63047028
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name[3-bromo-4-(1,2-oxazol-5-ylmethoxy)phenyl]methanamine
SMILESNCc1ccc(OCc2ccno2)c(Br)c1
InChIInChI=1S/C11H11BrN2O2/c12-10-5-8(6-13)1-2-11(10)15-7-9-3-4-14-16-9/h1-5H,6-7,13H2
InChIKeyWUBUSLQEKIEFIS-UHFFFAOYSA-N
XLogP2.47
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 63044789
[3-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 63047206
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
[3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]methanamine
CID 63045122
[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine
CID 107879157
[3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine
CID 106262966
[3-bromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 63044787
1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686603
[3-bromo-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methanamine
CID 63044621
(1R)-1-[3-chloro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 113389763
[3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
CID 66141104
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(1,2-oxazol-5-ylmethoxy)phenyl]methanamine?
The IUPAC name of [3-bromo-4-(1,2-oxazol-5-ylmethoxy)phenyl]methanamine (CID 63047028) is [3-bromo-4-(1,2-oxazol-5-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [3-bromo-4-(1,2-oxazol-5-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [3-bromo-4-(1,2-oxazol-5-ylmethoxy)phenyl]methanamine is NCc1ccc(OCc2ccno2)c(Br)c1.
What is the InChIKey of [3-bromo-4-(1,2-oxazol-5-ylmethoxy)phenyl]methanamine?
The InChIKey is WUBUSLQEKIEFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c12-10-5-8(6-13)1-2-11(10)15-7-9-3-4-14-16-9/h1-5H,6-7,13H2.
What are the key properties of [3-bromo-4-(1,2-oxazol-5-ylmethoxy)phenyl]methanamine?
[3-bromo-4-(1,2-oxazol-5-ylmethoxy)phenyl]methanamine has a molecular weight of 283.12 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(1,2-oxazol-5-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 63047028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).