4-[(2-bromophenoxy)methyl]-1,3-oxazol-2-amine

C10H9BrN2O2 — CID 117190937

IUPAC4-[(2-bromophenoxy)methyl]-1,3-oxazol-2-amine
SMILESNc1nc(COc2ccccc2Br)co1
InChIInChI=1S/C10H9BrN2O2/c11-8-3-1-2-4-9(8)14-5-7-6-15-10(12)13-7/h1-4,6H,5H2,(H2,12,13)
InChIKeyKCFLGXDMUZEWPC-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.60
Rot. Bonds3

About 4-[(2-bromophenoxy)methyl]-1,3-oxazol-2-amine

4-[(2-bromophenoxy)methyl]-1,3-oxazol-2-amine (PubChem CID 117190937) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 4-[(2-bromophenoxy)methyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[(2-bromophenoxy)methyl]-1,3-oxazol-2-amine
PubChem CID117190937
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name4-[(2-bromophenoxy)methyl]-1,3-oxazol-2-amine
SMILESNc1nc(COc2ccccc2Br)co1
InChIInChI=1S/C10H9BrN2O2/c11-8-3-1-2-4-9(8)14-5-7-6-15-10(12)13-7/h1-4,6H,5H2,(H2,12,13)
InChIKeyKCFLGXDMUZEWPC-UHFFFAOYSA-N
XLogP2.60
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxyphenoxy)methyl]-1,3-oxazol-2-amine
CID 117190945
4-[(2-bromophenoxy)methyl]-1,3-oxazole-2-carboxylic acid
CID 117191045
[5-[(2-bromophenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061839
4-[(2-bromophenoxy)methyl]-1,2-oxazole
CID 60871511
3-[(2-bromophenoxy)methyl]-1-benzofuran-5-amine
CID 117174245
4-[(2-bromophenoxy)methyl]-N-methylpyrimidin-2-amine
CID 112751384
[4-[(2-bromophenoxy)methyl]-2-pyridinyl]methanamine
CID 63887682
(2-bromophenoxy)methanamine
CID 57278354
[2-amino-4-[(2-amino-1,3-oxazol-4-yl)methoxy]-5-fluorophenyl]methylideneazanium
CID 171644766
3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole
CID 66158008
4-[(2-fluorophenoxy)methyl]-2-methyl-1,3-oxazole
CID 117190932
5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058498

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenoxy)methyl]-1,3-oxazol-2-amine?
The IUPAC name of 4-[(2-bromophenoxy)methyl]-1,3-oxazol-2-amine (CID 117190937) is 4-[(2-bromophenoxy)methyl]-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[(2-bromophenoxy)methyl]-1,3-oxazol-2-amine?
The canonical SMILES for 4-[(2-bromophenoxy)methyl]-1,3-oxazol-2-amine is Nc1nc(COc2ccccc2Br)co1.
What is the InChIKey of 4-[(2-bromophenoxy)methyl]-1,3-oxazol-2-amine?
The InChIKey is KCFLGXDMUZEWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c11-8-3-1-2-4-9(8)14-5-7-6-15-10(12)13-7/h1-4,6H,5H2,(H2,12,13).
What are the key properties of 4-[(2-bromophenoxy)methyl]-1,3-oxazol-2-amine?
4-[(2-bromophenoxy)methyl]-1,3-oxazol-2-amine has a molecular weight of 269.10 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenoxy)methyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 117190937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).