4-(4-bromophenyl)-5-cyclohexyl-1,2-oxazol-3-amine

C15H17BrN2O — CID 66199516

IUPAC4-(4-bromophenyl)-5-cyclohexyl-1,2-oxazol-3-amine
SMILESNc1noc(C2CCCCC2)c1-c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O/c16-12-8-6-10(7-9-12)13-14(19-18-15(13)17)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,17,18)
InChIKeyTZWYZLUNQGPPKX-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.73
Rot. Bonds2

About 4-(4-bromophenyl)-5-cyclohexyl-1,2-oxazol-3-amine

4-(4-bromophenyl)-5-cyclohexyl-1,2-oxazol-3-amine (PubChem CID 66199516) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-cyclohexyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-cyclohexyl-1,2-oxazol-3-amine
PubChem CID66199516
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name4-(4-bromophenyl)-5-cyclohexyl-1,2-oxazol-3-amine
SMILESNc1noc(C2CCCCC2)c1-c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O/c16-12-8-6-10(7-9-12)13-14(19-18-15(13)17)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,17,18)
InChIKeyTZWYZLUNQGPPKX-UHFFFAOYSA-N
XLogP4.73
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromophenyl)-5-cyclohexyl-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

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-cyclohexyl-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-bromophenyl)-5-cyclohexyl-1,2-oxazol-3-amine (CID 66199516) is 4-(4-bromophenyl)-5-cyclohexyl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-bromophenyl)-5-cyclohexyl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-bromophenyl)-5-cyclohexyl-1,2-oxazol-3-amine is Nc1noc(C2CCCCC2)c1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-5-cyclohexyl-1,2-oxazol-3-amine?
The InChIKey is TZWYZLUNQGPPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c16-12-8-6-10(7-9-12)13-14(19-18-15(13)17)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,17,18).
What are the key properties of 4-(4-bromophenyl)-5-cyclohexyl-1,2-oxazol-3-amine?
4-(4-bromophenyl)-5-cyclohexyl-1,2-oxazol-3-amine has a molecular weight of 321.22 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5-cyclohexyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66199516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).