5,7-ditert-butyl-2-chloro-1,3-benzoxazole

C15H20ClNO — CID 63488344

IUPAC5,7-ditert-butyl-2-chloro-1,3-benzoxazole
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc(Cl)nc2c1
InChIInChI=1S/C15H20ClNO/c1-14(2,3)9-7-10(15(4,5)6)12-11(8-9)17-13(16)18-12/h7-8H,1-6H3
InChIKeyZKAZWSHGBHZJJF-UHFFFAOYSA-N
MW265.78 g/mol
LogP5.08
Rot. Bonds

About 5,7-ditert-butyl-2-chloro-1,3-benzoxazole

5,7-ditert-butyl-2-chloro-1,3-benzoxazole (PubChem CID 63488344) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 5,7-ditert-butyl-2-chloro-1,3-benzoxazole.

Molecular Properties

Compound Name5,7-ditert-butyl-2-chloro-1,3-benzoxazole
PubChem CID63488344
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name5,7-ditert-butyl-2-chloro-1,3-benzoxazole
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc(Cl)nc2c1
InChIInChI=1S/C15H20ClNO/c1-14(2,3)9-7-10(15(4,5)6)12-11(8-9)17-13(16)18-12/h7-8H,1-6H3
InChIKeyZKAZWSHGBHZJJF-UHFFFAOYSA-N
XLogP5.08
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.78
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-ditert-butyl-2-chloro-1,3-benzoxazole?
The IUPAC name of 5,7-ditert-butyl-2-chloro-1,3-benzoxazole (CID 63488344) is 5,7-ditert-butyl-2-chloro-1,3-benzoxazole.
What is the SMILES notation for 5,7-ditert-butyl-2-chloro-1,3-benzoxazole?
The canonical SMILES for 5,7-ditert-butyl-2-chloro-1,3-benzoxazole is CC(C)(C)c1cc(C(C)(C)C)c2oc(Cl)nc2c1.
What is the InChIKey of 5,7-ditert-butyl-2-chloro-1,3-benzoxazole?
The InChIKey is ZKAZWSHGBHZJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-14(2,3)9-7-10(15(4,5)6)12-11(8-9)17-13(16)18-12/h7-8H,1-6H3.
What are the key properties of 5,7-ditert-butyl-2-chloro-1,3-benzoxazole?
5,7-ditert-butyl-2-chloro-1,3-benzoxazole has a molecular weight of 265.78 g/mol, XLogP of 5.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-ditert-butyl-2-chloro-1,3-benzoxazole is sourced from PubChem (CID 63488344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).