5-(3-bromo-4-cyclopropyloxyphenyl)-1,2-oxazol-3-amine

C12H11BrN2O2 — CID 117475662

IUPAC5-(3-bromo-4-cyclopropyloxyphenyl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc(OC3CC3)c(Br)c2)on1
InChIInChI=1S/C12H11BrN2O2/c13-9-5-7(11-6-12(14)15-17-11)1-4-10(9)16-8-2-3-8/h1,4-6,8H,2-3H2,(H2,14,15)
InChIKeyZEYTWQHLYMHCEG-UHFFFAOYSA-N
MW295.14 g/mol
LogP3.23
Rot. Bonds3

About 5-(3-bromo-4-cyclopropyloxyphenyl)-1,2-oxazol-3-amine

5-(3-bromo-4-cyclopropyloxyphenyl)-1,2-oxazol-3-amine (PubChem CID 117475662) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-(3-bromo-4-cyclopropyloxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-4-cyclopropyloxyphenyl)-1,2-oxazol-3-amine
PubChem CID117475662
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name5-(3-bromo-4-cyclopropyloxyphenyl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc(OC3CC3)c(Br)c2)on1
InChIInChI=1S/C12H11BrN2O2/c13-9-5-7(11-6-12(14)15-17-11)1-4-10(9)16-8-2-3-8/h1,4-6,8H,2-3H2,(H2,14,15)
InChIKeyZEYTWQHLYMHCEG-UHFFFAOYSA-N
XLogP3.23
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-cyclopropyloxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-bromo-4-cyclopropyloxyphenyl)-1,2-oxazol-3-amine (CID 117475662) is 5-(3-bromo-4-cyclopropyloxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-bromo-4-cyclopropyloxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-bromo-4-cyclopropyloxyphenyl)-1,2-oxazol-3-amine is Nc1cc(-c2ccc(OC3CC3)c(Br)c2)on1.
What is the InChIKey of 5-(3-bromo-4-cyclopropyloxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is ZEYTWQHLYMHCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c13-9-5-7(11-6-12(14)15-17-11)1-4-10(9)16-8-2-3-8/h1,4-6,8H,2-3H2,(H2,14,15).
What are the key properties of 5-(3-bromo-4-cyclopropyloxyphenyl)-1,2-oxazol-3-amine?
5-(3-bromo-4-cyclopropyloxyphenyl)-1,2-oxazol-3-amine has a molecular weight of 295.14 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-cyclopropyloxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117475662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).