2-bromo-4,5-dimethyl-1,3-oxazole

C5H6BrNO — CID 22087321

IUPAC2-bromo-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Br)oc1C
InChIInChI=1S/C5H6BrNO/c1-3-4(2)8-5(6)7-3/h1-2H3
InChIKeyQDVISYCNCKXBLV-UHFFFAOYSA-N
MW176.01 g/mol
LogP2.05
Rot. Bonds

About 2-bromo-4,5-dimethyl-1,3-oxazole

2-bromo-4,5-dimethyl-1,3-oxazole (PubChem CID 22087321) has the molecular formula C5H6BrNO and a molecular weight of 176.01 g/mol. Its IUPAC name is 2-bromo-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-4,5-dimethyl-1,3-oxazole
PubChem CID22087321
Molecular FormulaC5H6BrNO
Molecular Weight176.01 g/mol
Exact Mass174.96
IUPAC Name2-bromo-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Br)oc1C
InChIInChI=1S/C5H6BrNO/c1-3-4(2)8-5(6)7-3/h1-2H3
InChIKeyQDVISYCNCKXBLV-UHFFFAOYSA-N
XLogP2.05
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.01
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-Trimethyloxazole
CID 30215
2-Ethyl-4,5-dimethyloxazole
CID 62069
4,5-Dimethyl-2-propyloxazole
CID 104620
4,5-Dimethyloxazole
CID 30214
2-Isopropyl-4,5-dimethyloxazole
CID 29644
4,5-Dimethyl-2-(tributylstannyl)-1,3-oxazole
CID 53485383
4-(Bromomethyl)-2,5-dimethyloxazole
CID 121552302
4,5-Dimethyl-2-(trifluoromethyl)oxazole
CID 14639803
2,4-Dimethyl-5-trifluoromethyloxazole
CID 60019988
2-Chloro-4,5-dimethyl-1,3-oxazole hydrochloride
CID 145874284
2-Ethynyl-4,5-dimethyl-1,3-oxazole
CID 165614004
5-Ethynyl-2,4-dimethyloxazole
CID 170904596

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-bromo-4,5-dimethyl-1,3-oxazole (CID 22087321) is 2-bromo-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-bromo-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-bromo-4,5-dimethyl-1,3-oxazole is Cc1nc(Br)oc1C.
What is the InChIKey of 2-bromo-4,5-dimethyl-1,3-oxazole?
The InChIKey is QDVISYCNCKXBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNO/c1-3-4(2)8-5(6)7-3/h1-2H3.
What are the key properties of 2-bromo-4,5-dimethyl-1,3-oxazole?
2-bromo-4,5-dimethyl-1,3-oxazole has a molecular weight of 176.01 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 22087321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).