3-(5-bromothiophen-2-yl)-2-tert-butyl-5H-1,2-oxazol-5-amine

C11H15BrN2OS — CID 91381666

IUPAC3-(5-bromothiophen-2-yl)-2-tert-butyl-5H-1,2-oxazol-5-amine
SMILESCC(C)(C)N1OC(N)C=C1c1ccc(Br)s1
InChIInChI=1S/C11H15BrN2OS/c1-11(2,3)14-7(6-10(13)15-14)8-4-5-9(12)16-8/h4-6,10H,13H2,1-3H3
InChIKeyPYKSDUUOOCIIJF-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.18
Rot. Bonds1

About 3-(5-bromothiophen-2-yl)-2-tert-butyl-5H-1,2-oxazol-5-amine

3-(5-bromothiophen-2-yl)-2-tert-butyl-5H-1,2-oxazol-5-amine (PubChem CID 91381666) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-2-tert-butyl-5H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-2-tert-butyl-5H-1,2-oxazol-5-amine
PubChem CID91381666
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name3-(5-bromothiophen-2-yl)-2-tert-butyl-5H-1,2-oxazol-5-amine
SMILESCC(C)(C)N1OC(N)C=C1c1ccc(Br)s1
InChIInChI=1S/C11H15BrN2OS/c1-11(2,3)14-7(6-10(13)15-14)8-4-5-9(12)16-8/h4-6,10H,13H2,1-3H3
InChIKeyPYKSDUUOOCIIJF-UHFFFAOYSA-N
XLogP3.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-bromothiophen-2-yl)-2-tert-butyl-5H-1,2-oxazol-5-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 3-(5-bromothiophen-2-yl)-2-tert-butyl-5H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-2-tert-butyl-5H-1,2-oxazol-5-amine (CID 91381666) is 3-(5-bromothiophen-2-yl)-2-tert-butyl-5H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-2-tert-butyl-5H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-2-tert-butyl-5H-1,2-oxazol-5-amine is CC(C)(C)N1OC(N)C=C1c1ccc(Br)s1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-2-tert-butyl-5H-1,2-oxazol-5-amine?
The InChIKey is PYKSDUUOOCIIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-11(2,3)14-7(6-10(13)15-14)8-4-5-9(12)16-8/h4-6,10H,13H2,1-3H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-2-tert-butyl-5H-1,2-oxazol-5-amine?
3-(5-bromothiophen-2-yl)-2-tert-butyl-5H-1,2-oxazol-5-amine has a molecular weight of 303.23 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-2-tert-butyl-5H-1,2-oxazol-5-amine is sourced from PubChem (CID 91381666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).