7-bromo-2-tert-butyl-5-chloro-1,3-benzoxazole

C11H11BrClNO — CID 82095551

IUPAC7-bromo-2-tert-butyl-5-chloro-1,3-benzoxazole
SMILESCC(C)(C)c1nc2cc(Cl)cc(Br)c2o1
InChIInChI=1S/C11H11BrClNO/c1-11(2,3)10-14-8-5-6(13)4-7(12)9(8)15-10/h4-5H,1-3H3
InChIKeyYHRFMSYJUZVKRY-UHFFFAOYSA-N
MW288.57 g/mol
LogP4.54
Rot. Bonds

About 7-bromo-2-tert-butyl-5-chloro-1,3-benzoxazole

7-bromo-2-tert-butyl-5-chloro-1,3-benzoxazole (PubChem CID 82095551) has the molecular formula C11H11BrClNO and a molecular weight of 288.57 g/mol. Its IUPAC name is 7-bromo-2-tert-butyl-5-chloro-1,3-benzoxazole.

Molecular Properties

Compound Name7-bromo-2-tert-butyl-5-chloro-1,3-benzoxazole
PubChem CID82095551
Molecular FormulaC11H11BrClNO
Molecular Weight288.57 g/mol
Exact Mass286.97
IUPAC Name7-bromo-2-tert-butyl-5-chloro-1,3-benzoxazole
SMILESCC(C)(C)c1nc2cc(Cl)cc(Br)c2o1
InChIInChI=1S/C11H11BrClNO/c1-11(2,3)10-14-8-5-6(13)4-7(12)9(8)15-10/h4-5H,1-3H3
InChIKeyYHRFMSYJUZVKRY-UHFFFAOYSA-N
XLogP4.54
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.57
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-tert-butyl-5-chloro-1,3-benzoxazole?
The IUPAC name of 7-bromo-2-tert-butyl-5-chloro-1,3-benzoxazole (CID 82095551) is 7-bromo-2-tert-butyl-5-chloro-1,3-benzoxazole.
What is the SMILES notation for 7-bromo-2-tert-butyl-5-chloro-1,3-benzoxazole?
The canonical SMILES for 7-bromo-2-tert-butyl-5-chloro-1,3-benzoxazole is CC(C)(C)c1nc2cc(Cl)cc(Br)c2o1.
What is the InChIKey of 7-bromo-2-tert-butyl-5-chloro-1,3-benzoxazole?
The InChIKey is YHRFMSYJUZVKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO/c1-11(2,3)10-14-8-5-6(13)4-7(12)9(8)15-10/h4-5H,1-3H3.
What are the key properties of 7-bromo-2-tert-butyl-5-chloro-1,3-benzoxazole?
7-bromo-2-tert-butyl-5-chloro-1,3-benzoxazole has a molecular weight of 288.57 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-tert-butyl-5-chloro-1,3-benzoxazole is sourced from PubChem (CID 82095551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).