#3 Design or Science?
The hole isn't a mere design, it has a lot of science involved. This will shock you but even relief you a little!
To start with, all of us have that one friend who has never had his pen's cap right, because he/she has been chewing away the most of it. Most of the time this habit seems silly and is ignored; nevertheless, it has reported many cases where a person was chocked to death due to swallowing a pen's cap while chewing it.

#2 The answer is- SCIENCE
Such case reports went viral on every news channel, repeated cases made the company rethink about the design, and thus they came up with caps, with a hole at the top of it.
All those who thought it to be a mere part of the design; to break the water bubble for them; it has a lot of science involved in it.

#1 PERFECT!
The hole is provided to make sure that even after swallowing the cap there remains a fair supply of air to prevent the person from choking. This will also provide the required time to provide first aid to the patient and the time to get to a hospital.
Engineering Designs have always astounded us with their amazing concepts and ideas to ensure every issue is resolved appropriately!