5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-amine

C10H9BrN2O2 — CID 117216893

IUPAC5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-amine
SMILESNc1cc(COc2cccc(Br)c2)on1
InChIInChI=1S/C10H9BrN2O2/c11-7-2-1-3-8(4-7)14-6-9-5-10(12)13-15-9/h1-5H,6H2,(H2,12,13)
InChIKeyZCUSKIKTFUYDQZ-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.60
Rot. Bonds3

About 5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-amine

5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-amine (PubChem CID 117216893) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-amine
PubChem CID117216893
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-amine
SMILESNc1cc(COc2cccc(Br)c2)on1
InChIInChI=1S/C10H9BrN2O2/c11-7-2-1-3-8(4-7)14-6-9-5-10(12)13-15-9/h1-5H,6H2,(H2,12,13)
InChIKeyZCUSKIKTFUYDQZ-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

5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63576178
[5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine
CID 62459720
N-[[5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62460442
6-[(3-bromophenoxy)methyl]pyridin-2-amine
CID 79239271
2-[(3-bromophenoxy)methyl]-1,3-oxazol-4-amine
CID 117186722
5-[(3-bromophenoxy)methyl]pyridin-2-amine
CID 62193709
1-[5-[(3-bromophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62459188
5-[(3-bromophenoxy)methyl]-1-methylpyrazol-4-amine
CID 117217778
4-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine
CID 117191924
2-[(3-bromophenoxy)methyl]-1-benzofuran-7-ol
CID 117182804
4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine
CID 28913045
4-[(3-bromophenoxy)methyl]thiadiazol-5-amine
CID 62193534

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-amine (CID 117216893) is 5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-amine is Nc1cc(COc2cccc(Br)c2)on1.
What is the InChIKey of 5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-amine?
The InChIKey is ZCUSKIKTFUYDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c11-7-2-1-3-8(4-7)14-6-9-5-10(12)13-15-9/h1-5H,6H2,(H2,12,13).
What are the key properties of 5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-amine?
5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-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 5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117216893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).