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

C7H9BrClNO — CID 83679255

IUPAC2-bromo-4-tert-butyl-5-chloro-1,3-oxazole
SMILESCC(C)(C)c1nc(Br)oc1Cl
InChIInChI=1S/C7H9BrClNO/c1-7(2,3)4-5(9)11-6(8)10-4/h1-3H3
InChIKeyHWDZILNDHFMKEA-UHFFFAOYSA-N
MW238.51 g/mol
LogP3.39
Rot. Bonds

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

2-bromo-4-tert-butyl-5-chloro-1,3-oxazole (PubChem CID 83679255) has the molecular formula C7H9BrClNO and a molecular weight of 238.51 g/mol. Its IUPAC name is 2-bromo-4-tert-butyl-5-chloro-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-4-tert-butyl-5-chloro-1,3-oxazole
PubChem CID83679255
Molecular FormulaC7H9BrClNO
Molecular Weight238.51 g/mol
Exact Mass236.96
IUPAC Name2-bromo-4-tert-butyl-5-chloro-1,3-oxazole
SMILESCC(C)(C)c1nc(Br)oc1Cl
InChIInChI=1S/C7H9BrClNO/c1-7(2,3)4-5(9)11-6(8)10-4/h1-3H3
InChIKeyHWDZILNDHFMKEA-UHFFFAOYSA-N
XLogP3.39
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.51
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-tert-butyl-5-chloro-1,3-oxazole?
The IUPAC name of 2-bromo-4-tert-butyl-5-chloro-1,3-oxazole (CID 83679255) is 2-bromo-4-tert-butyl-5-chloro-1,3-oxazole.
What is the SMILES notation for 2-bromo-4-tert-butyl-5-chloro-1,3-oxazole?
The canonical SMILES for 2-bromo-4-tert-butyl-5-chloro-1,3-oxazole is CC(C)(C)c1nc(Br)oc1Cl.
What is the InChIKey of 2-bromo-4-tert-butyl-5-chloro-1,3-oxazole?
The InChIKey is HWDZILNDHFMKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrClNO/c1-7(2,3)4-5(9)11-6(8)10-4/h1-3H3.
What are the key properties of 2-bromo-4-tert-butyl-5-chloro-1,3-oxazole?
2-bromo-4-tert-butyl-5-chloro-1,3-oxazole has a molecular weight of 238.51 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-tert-butyl-5-chloro-1,3-oxazole is sourced from PubChem (CID 83679255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).