4-bromo-5-tert-butyl-3-methyl-1,2-oxazole

C8H12BrNO — CID 135170621

IUPAC4-bromo-5-tert-butyl-3-methyl-1,2-oxazole
SMILESCc1noc(C(C)(C)C)c1Br
InChIInChI=1S/C8H12BrNO/c1-5-6(9)7(11-10-5)8(2,3)4/h1-4H3
InChIKeyAPIUQRZFLPKBAV-UHFFFAOYSA-N
MW218.09 g/mol
LogP3.04
Rot. Bonds

About 4-bromo-5-tert-butyl-3-methyl-1,2-oxazole

4-bromo-5-tert-butyl-3-methyl-1,2-oxazole (PubChem CID 135170621) has the molecular formula C8H12BrNO and a molecular weight of 218.09 g/mol. Its IUPAC name is 4-bromo-5-tert-butyl-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-bromo-5-tert-butyl-3-methyl-1,2-oxazole
PubChem CID135170621
Molecular FormulaC8H12BrNO
Molecular Weight218.09 g/mol
Exact Mass217.01
IUPAC Name4-bromo-5-tert-butyl-3-methyl-1,2-oxazole
SMILESCc1noc(C(C)(C)C)c1Br
InChIInChI=1S/C8H12BrNO/c1-5-6(9)7(11-10-5)8(2,3)4/h1-4H3
InChIKeyAPIUQRZFLPKBAV-UHFFFAOYSA-N
XLogP3.04
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-5-tert-butyl-3-methyl-1,2-oxazole 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

4-bromo-5-tert-butyl-3-isocyanato-1,2-oxazole
CID 83919589
3,4,5-tritert-butyl-1,2-oxazole
CID 21040090
5-tert-butyl-4-methyl-1,2-oxazole-3-carboxylate
CID 56924170
4,5-ditert-butyl-3-methyl-1,2-oxazole;4,5-ditert-butyl-3-methyl-1,2-thiazole
CID 161493774
5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole
CID 89280941
5-tert-butyl-3-chloro-1,2-oxazol-4-amine
CID 82411326
5-tert-butyl-4-chloro-1,2-oxazol-3-amine
CID 79555596
N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-N-ethylethanamine
CID 13312712
N,3-dimethyl-5-(3-methylpentan-3-yl)-1,2-oxazol-4-amine
CID 135170478
(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl-diethyl-methylazanium bromide
CID 44783854
tert-butyl N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-N-cyclopropylcarbamate
CID 67813716
CID 58004744
CID 58004744

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-tert-butyl-3-methyl-1,2-oxazole?
The IUPAC name of 4-bromo-5-tert-butyl-3-methyl-1,2-oxazole (CID 135170621) is 4-bromo-5-tert-butyl-3-methyl-1,2-oxazole.
What is the SMILES notation for 4-bromo-5-tert-butyl-3-methyl-1,2-oxazole?
The canonical SMILES for 4-bromo-5-tert-butyl-3-methyl-1,2-oxazole is Cc1noc(C(C)(C)C)c1Br.
What is the InChIKey of 4-bromo-5-tert-butyl-3-methyl-1,2-oxazole?
The InChIKey is APIUQRZFLPKBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO/c1-5-6(9)7(11-10-5)8(2,3)4/h1-4H3.
What are the key properties of 4-bromo-5-tert-butyl-3-methyl-1,2-oxazole?
4-bromo-5-tert-butyl-3-methyl-1,2-oxazole has a molecular weight of 218.09 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-tert-butyl-3-methyl-1,2-oxazole is sourced from PubChem (CID 135170621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).