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

C10H9BrN2O2 — CID 117186722

IUPAC2-[(3-bromophenoxy)methyl]-1,3-oxazol-4-amine
SMILESNc1coc(COc2cccc(Br)c2)n1
InChIInChI=1S/C10H9BrN2O2/c11-7-2-1-3-8(4-7)14-6-10-13-9(12)5-15-10/h1-5H,6,12H2
InChIKeyGJOFHZKAPNHMRS-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.60
Rot. Bonds3

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

2-[(3-bromophenoxy)methyl]-1,3-oxazol-4-amine (PubChem CID 117186722) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 2-[(3-bromophenoxy)methyl]-1,3-oxazol-4-amine.

Molecular Properties

Compound Name2-[(3-bromophenoxy)methyl]-1,3-oxazol-4-amine
PubChem CID117186722
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name2-[(3-bromophenoxy)methyl]-1,3-oxazol-4-amine
SMILESNc1coc(COc2cccc(Br)c2)n1
InChIInChI=1S/C10H9BrN2O2/c11-7-2-1-3-8(4-7)14-6-10-13-9(12)5-15-10/h1-5H,6,12H2
InChIKeyGJOFHZKAPNHMRS-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

6-[(3-bromophenoxy)methyl]pyridin-2-amine
CID 79239271
5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-amine
CID 117216893
3-[(4-bromo-1,3-oxazol-2-yl)methoxy]phenol
CID 117186731
5-[(3-bromophenoxy)methyl]pyridin-2-amine
CID 62193709
4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine
CID 28913045
3-[(3-bromophenoxy)methyl]furan
CID 83171988
4-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine
CID 117191924
[5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine
CID 62459720
4-[(3-bromophenoxy)methyl]thiadiazol-5-amine
CID 62193534
4-[(3-bromophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole
CID 117191932
2-[(3-bromophenoxy)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole
CID 7894332
5-bromo-2-[(3-bromophenoxy)methyl]pyridine
CID 104797443

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenoxy)methyl]-1,3-oxazol-4-amine?
The IUPAC name of 2-[(3-bromophenoxy)methyl]-1,3-oxazol-4-amine (CID 117186722) is 2-[(3-bromophenoxy)methyl]-1,3-oxazol-4-amine.
What is the SMILES notation for 2-[(3-bromophenoxy)methyl]-1,3-oxazol-4-amine?
The canonical SMILES for 2-[(3-bromophenoxy)methyl]-1,3-oxazol-4-amine is Nc1coc(COc2cccc(Br)c2)n1.
What is the InChIKey of 2-[(3-bromophenoxy)methyl]-1,3-oxazol-4-amine?
The InChIKey is GJOFHZKAPNHMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c11-7-2-1-3-8(4-7)14-6-10-13-9(12)5-15-10/h1-5H,6,12H2.
What are the key properties of 2-[(3-bromophenoxy)methyl]-1,3-oxazol-4-amine?
2-[(3-bromophenoxy)methyl]-1,3-oxazol-4-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 2-[(3-bromophenoxy)methyl]-1,3-oxazol-4-amine is sourced from PubChem (CID 117186722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).