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

C7H10BrNO — CID 153449607

IUPAC4-bromo-2-tert-butyl-1,3-oxazole
SMILESCC(C)(C)c1nc(Br)co1
InChIInChI=1S/C7H10BrNO/c1-7(2,3)6-9-5(8)4-10-6/h4H,1-3H3
InChIKeyJBNBJFYZFCWKGE-UHFFFAOYSA-N
MW204.07 g/mol
LogP2.73
Rot. Bonds

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

4-bromo-2-tert-butyl-1,3-oxazole (PubChem CID 153449607) has the molecular formula C7H10BrNO and a molecular weight of 204.07 g/mol. Its IUPAC name is 4-bromo-2-tert-butyl-1,3-oxazole.

Molecular Properties

Compound Name4-bromo-2-tert-butyl-1,3-oxazole
PubChem CID153449607
Molecular FormulaC7H10BrNO
Molecular Weight204.07 g/mol
Exact Mass202.99
IUPAC Name4-bromo-2-tert-butyl-1,3-oxazole
SMILESCC(C)(C)c1nc(Br)co1
InChIInChI=1S/C7H10BrNO/c1-7(2,3)6-9-5(8)4-10-6/h4H,1-3H3
InChIKeyJBNBJFYZFCWKGE-UHFFFAOYSA-N
XLogP2.73
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-tert-butyl-1,3-oxazole?
The IUPAC name of 4-bromo-2-tert-butyl-1,3-oxazole (CID 153449607) is 4-bromo-2-tert-butyl-1,3-oxazole.
What is the SMILES notation for 4-bromo-2-tert-butyl-1,3-oxazole?
The canonical SMILES for 4-bromo-2-tert-butyl-1,3-oxazole is CC(C)(C)c1nc(Br)co1.
What is the InChIKey of 4-bromo-2-tert-butyl-1,3-oxazole?
The InChIKey is JBNBJFYZFCWKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO/c1-7(2,3)6-9-5(8)4-10-6/h4H,1-3H3.
What are the key properties of 4-bromo-2-tert-butyl-1,3-oxazole?
4-bromo-2-tert-butyl-1,3-oxazole has a molecular weight of 204.07 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-tert-butyl-1,3-oxazole is sourced from PubChem (CID 153449607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).