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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazol-3-amine
CID 117448772
5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine
CID 117307996
5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117472099
5-[4-(oxan-4-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117404768
5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117475309
5-(4-methoxy-3-piperidin-3-yloxyphenyl)-1,2-oxazol-3-amine
CID 117467434
4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine
CID 117474465
5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 82112667
5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine
CID 82114977
5-[4-(1,1-dioxothietan-3-yl)oxyphenyl]-1,2-oxazol-3-amine
CID 117449852
5-(3-bromo-4-pentan-3-ylphenyl)-1,2-oxazol-3-amine
CID 117493981
5-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117335998

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).